<?xml version="1.0" encoding="UTF-8"?>
<ui version="4.0">
 <class>MolecularDynamicsDialogData</class>
 <widget class="QDialog" name="MolecularDynamicsDialogData">
  <property name="geometry">
   <rect>
    <x>0</x>
    <y>0</y>
    <width>383</width>
    <height>451</height>
   </rect>
  </property>
  <property name="sizePolicy">
   <sizepolicy hsizetype="Preferred" vsizetype="Preferred">
    <horstretch>0</horstretch>
    <verstretch>0</verstretch>
   </sizepolicy>
  </property>
  <property name="minimumSize">
   <size>
    <width>0</width>
    <height>0</height>
   </size>
  </property>
  <property name="maximumSize">
   <size>
    <width>9000</width>
    <height>9000</height>
   </size>
  </property>
  <property name="windowTitle">
   <string>MolecularDynamicsSimulation</string>
  </property>
  <property name="toolTip">
   <string/>
  </property>
  <layout class="QGridLayout">
   <property name="leftMargin">
    <number>4</number>
   </property>
   <property name="topMargin">
    <number>4</number>
   </property>
   <property name="rightMargin">
    <number>4</number>
   </property>
   <property name="bottomMargin">
    <number>4</number>
   </property>
   <property name="spacing">
    <number>6</number>
   </property>
   <item row="3" column="1">
    <widget class="QPushButton" name="cancel_button">
     <property name="sizePolicy">
      <sizepolicy hsizetype="Preferred" vsizetype="Preferred">
       <horstretch>0</horstretch>
       <verstretch>0</verstretch>
      </sizepolicy>
     </property>
     <property name="minimumSize">
      <size>
       <width>150</width>
       <height>0</height>
      </size>
     </property>
     <property name="maximumSize">
      <size>
       <width>32767</width>
       <height>30</height>
      </size>
     </property>
     <property name="focusPolicy">
      <enum>Qt::TabFocus</enum>
     </property>
     <property name="text">
      <string>C&amp;ancel</string>
     </property>
     <property name="shortcut">
      <string>Alt+A</string>
     </property>
     <property name="autoDefault">
      <bool>true</bool>
     </property>
    </widget>
   </item>
   <item row="3" column="0">
    <widget class="QPushButton" name="start_button">
     <property name="sizePolicy">
      <sizepolicy hsizetype="Preferred" vsizetype="Preferred">
       <horstretch>0</horstretch>
       <verstretch>0</verstretch>
      </sizepolicy>
     </property>
     <property name="minimumSize">
      <size>
       <width>150</width>
       <height>25</height>
      </size>
     </property>
     <property name="focusPolicy">
      <enum>Qt::TabFocus</enum>
     </property>
     <property name="toolTip">
      <string>Start simulation</string>
     </property>
     <property name="text">
      <string>&amp;Simulate</string>
     </property>
     <property name="shortcut">
      <string>Alt+S</string>
     </property>
     <property name="autoDefault">
      <bool>true</bool>
     </property>
     <property name="default">
      <bool>true</bool>
     </property>
    </widget>
   </item>
   <item row="2" column="0" colspan="2">
    <widget class="QGroupBox" name="GroupBox2_2">
     <property name="sizePolicy">
      <sizepolicy hsizetype="Preferred" vsizetype="MinimumExpanding">
       <horstretch>0</horstretch>
       <verstretch>0</verstretch>
      </sizepolicy>
     </property>
     <property name="title">
      <string>Trajectory</string>
     </property>
     <property name="alignment">
      <set>Qt::AlignHCenter</set>
     </property>
     <layout class="QGridLayout">
      <property name="leftMargin">
       <number>9</number>
      </property>
      <property name="topMargin">
       <number>9</number>
      </property>
      <property name="rightMargin">
       <number>9</number>
      </property>
      <property name="bottomMargin">
       <number>9</number>
      </property>
      <property name="spacing">
       <number>6</number>
      </property>
      <item row="0" column="0">
       <widget class="QCheckBox" name="enable_dcd">
        <property name="sizePolicy">
         <sizepolicy hsizetype="Minimum" vsizetype="Preferred">
          <horstretch>0</horstretch>
          <verstretch>0</verstretch>
         </sizepolicy>
        </property>
        <property name="toolTip">
         <string>Write trajectories to file in order to be able to watch snapshots</string>
        </property>
        <property name="text">
         <string>save to</string>
        </property>
       </widget>
      </item>
      <item row="0" column="2">
       <widget class="QPushButton" name="browse_button">
        <property name="text">
         <string>Browse</string>
        </property>
       </widget>
      </item>
      <item row="0" column="1">
       <widget class="QLineEdit" name="dcd_file_edit">
        <property name="enabled">
         <bool>false</bool>
        </property>
        <property name="sizePolicy">
         <sizepolicy hsizetype="Expanding" vsizetype="Fixed">
          <horstretch>0</horstretch>
          <verstretch>0</verstretch>
         </sizepolicy>
        </property>
        <property name="minimumSize">
         <size>
          <width>150</width>
          <height>25</height>
         </size>
        </property>
        <property name="maximumSize">
         <size>
          <width>200</width>
          <height>32767</height>
         </size>
        </property>
        <property name="focusPolicy">
         <enum>Qt::StrongFocus</enum>
        </property>
        <property name="text">
         <string>trajectory.dcd</string>
        </property>
        <property name="maxLength">
         <number>32767</number>
        </property>
        <property name="frame">
         <bool>true</bool>
        </property>
        <property name="echoMode">
         <enum>QLineEdit::Normal</enum>
        </property>
        <property name="alignment">
         <set>Qt::AlignLeading</set>
        </property>
       </widget>
      </item>
     </layout>
    </widget>
   </item>
   <item row="1" column="1">
    <widget class="QGroupBox" name="groupBox5">
     <property name="title">
      <string>Force Field</string>
     </property>
     <property name="alignment">
      <set>Qt::AlignHCenter</set>
     </property>
     <layout class="QVBoxLayout">
      <property name="spacing">
       <number>6</number>
      </property>
      <property name="leftMargin">
       <number>9</number>
      </property>
      <property name="topMargin">
       <number>9</number>
      </property>
      <property name="rightMargin">
       <number>9</number>
      </property>
      <property name="bottomMargin">
       <number>9</number>
      </property>
      <item>
       <widget class="QRadioButton" name="useAmberRadioButton">
        <property name="text">
         <string>AMBER</string>
        </property>
        <property name="shortcut">
         <string/>
        </property>
        <property name="checked">
         <bool>true</bool>
        </property>
       </widget>
      </item>
      <item>
       <widget class="QRadioButton" name="useCharmmRadioButton">
        <property name="text">
         <string>CHARMM</string>
        </property>
        <property name="shortcut">
         <string/>
        </property>
       </widget>
      </item>
      <item>
       <widget class="QRadioButton" name="useMMFF94RadioButton">
        <property name="text">
         <string>MMFF94</string>
        </property>
        <property name="shortcut">
         <string/>
        </property>
       </widget>
      </item>
      <item>
       <widget class="QPushButton" name="advanced_button">
        <property name="minimumSize">
         <size>
          <width>0</width>
          <height>30</height>
         </size>
        </property>
        <property name="toolTip">
         <string>Alter force field options</string>
        </property>
        <property name="text">
         <string>&amp;ForceField Options</string>
        </property>
        <property name="shortcut">
         <string>Alt+F</string>
        </property>
       </widget>
      </item>
     </layout>
    </widget>
   </item>
   <item row="1" column="0">
    <widget class="QGroupBox" name="dielectric_group_2">
     <property name="title">
      <string>Ensemble</string>
     </property>
     <property name="alignment">
      <set>Qt::AlignHCenter</set>
     </property>
     <layout class="QVBoxLayout">
      <property name="spacing">
       <number>6</number>
      </property>
      <property name="leftMargin">
       <number>9</number>
      </property>
      <property name="topMargin">
       <number>9</number>
      </property>
      <property name="rightMargin">
       <number>9</number>
      </property>
      <property name="bottomMargin">
       <number>9</number>
      </property>
      <item>
       <widget class="QRadioButton" name="canonical_button">
        <property name="text">
         <string>canonical</string>
        </property>
        <property name="checked">
         <bool>true</bool>
        </property>
       </widget>
      </item>
      <item>
       <widget class="QRadioButton" name="microcanonical_button">
        <property name="minimumSize">
         <size>
          <width>120</width>
          <height>0</height>
         </size>
        </property>
        <property name="text">
         <string>microcanonical</string>
        </property>
       </widget>
      </item>
     </layout>
    </widget>
   </item>
   <item row="0" column="0" colspan="2">
    <widget class="QGroupBox" name="GroupBox_3">
     <property name="focusPolicy">
      <enum>Qt::NoFocus</enum>
     </property>
     <property name="title">
      <string>Parameters</string>
     </property>
     <property name="alignment">
      <set>Qt::AlignHCenter</set>
     </property>
     <layout class="QGridLayout">
      <property name="leftMargin">
       <number>9</number>
      </property>
      <property name="topMargin">
       <number>9</number>
      </property>
      <property name="rightMargin">
       <number>9</number>
      </property>
      <property name="bottomMargin">
       <number>9</number>
      </property>
      <property name="spacing">
       <number>6</number>
      </property>
      <item row="4" column="2">
       <widget class="QLabel" name="textLabel1">
        <property name="text">
         <string/>
        </property>
       </widget>
      </item>
      <item row="4" column="0">
       <widget class="QLabel" name="temperature_2">
        <property name="sizePolicy">
         <sizepolicy hsizetype="Expanding" vsizetype="Preferred">
          <horstretch>0</horstretch>
          <verstretch>0</verstretch>
         </sizepolicy>
        </property>
        <property name="minimumSize">
         <size>
          <width>190</width>
          <height>0</height>
         </size>
        </property>
        <property name="maximumSize">
         <size>
          <width>200</width>
          <height>32767</height>
         </size>
        </property>
        <property name="focusPolicy">
         <enum>Qt::NoFocus</enum>
        </property>
        <property name="lineWidth">
         <number>1</number>
        </property>
        <property name="text">
         <string>steps between refresh</string>
        </property>
        <property name="textFormat">
         <enum>Qt::AutoText</enum>
        </property>
        <property name="alignment">
         <set>Qt::AlignLeading|Qt::AlignLeft|Qt::AlignVCenter</set>
        </property>
       </widget>
      </item>
      <item row="2" column="2">
       <widget class="QLabel" name="Label_4_2_2">
        <property name="minimumSize">
         <size>
          <width>25</width>
          <height>0</height>
         </size>
        </property>
        <property name="focusPolicy">
         <enum>Qt::NoFocus</enum>
        </property>
        <property name="lineWidth">
         <number>1</number>
        </property>
        <property name="text">
         <string>ps)</string>
        </property>
        <property name="textFormat">
         <enum>Qt::AutoText</enum>
        </property>
        <property name="alignment">
         <set>Qt::AlignLeading|Qt::AlignLeft|Qt::AlignVCenter</set>
        </property>
       </widget>
      </item>
      <item row="0" column="0">
       <widget class="QLabel" name="Label_4">
        <property name="minimumSize">
         <size>
          <width>150</width>
          <height>0</height>
         </size>
        </property>
        <property name="focusPolicy">
         <enum>Qt::NoFocus</enum>
        </property>
        <property name="lineWidth">
         <number>1</number>
        </property>
        <property name="text">
         <string>number of steps</string>
        </property>
        <property name="textFormat">
         <enum>Qt::AutoText</enum>
        </property>
        <property name="alignment">
         <set>Qt::AlignLeading|Qt::AlignLeft|Qt::AlignVCenter</set>
        </property>
       </widget>
      </item>
      <item row="1" column="1">
       <widget class="QLineEdit" name="timestep_linedit">
        <property name="sizePolicy">
         <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
          <horstretch>0</horstretch>
          <verstretch>0</verstretch>
         </sizepolicy>
        </property>
        <property name="maximumSize">
         <size>
          <width>110</width>
          <height>24</height>
         </size>
        </property>
        <property name="focusPolicy">
         <enum>Qt::StrongFocus</enum>
        </property>
        <property name="toolTip">
         <string>Timesteps in which snapshots are taken</string>
        </property>
        <property name="text">
         <string>0.0001</string>
        </property>
        <property name="frame">
         <bool>true</bool>
        </property>
        <property name="alignment">
         <set>Qt::AlignRight</set>
        </property>
       </widget>
      </item>
      <item row="0" column="1">
       <widget class="QLineEdit" name="steps_lineedit">
        <property name="sizePolicy">
         <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
          <horstretch>0</horstretch>
          <verstretch>0</verstretch>
         </sizepolicy>
        </property>
        <property name="minimumSize">
         <size>
          <width>110</width>
          <height>24</height>
         </size>
        </property>
        <property name="maximumSize">
         <size>
          <width>110</width>
          <height>24</height>
         </size>
        </property>
        <property name="focusPolicy">
         <enum>Qt::StrongFocus</enum>
        </property>
        <property name="text">
         <string>1000</string>
        </property>
        <property name="frame">
         <bool>true</bool>
        </property>
        <property name="echoMode">
         <enum>QLineEdit::Normal</enum>
        </property>
        <property name="alignment">
         <set>Qt::AlignRight</set>
        </property>
       </widget>
      </item>
      <item row="1" column="2">
       <widget class="QLabel" name="Label_4_2">
        <property name="minimumSize">
         <size>
          <width>25</width>
          <height>0</height>
         </size>
        </property>
        <property name="focusPolicy">
         <enum>Qt::NoFocus</enum>
        </property>
        <property name="lineWidth">
         <number>1</number>
        </property>
        <property name="text">
         <string>ps</string>
        </property>
        <property name="textFormat">
         <enum>Qt::AutoText</enum>
        </property>
        <property name="alignment">
         <set>Qt::AlignLeading|Qt::AlignLeft|Qt::AlignVCenter</set>
        </property>
       </widget>
      </item>
      <item row="4" column="1">
       <widget class="QLineEdit" name="refresh_lineedit">
        <property name="sizePolicy">
         <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
          <horstretch>0</horstretch>
          <verstretch>0</verstretch>
         </sizepolicy>
        </property>
        <property name="minimumSize">
         <size>
          <width>110</width>
          <height>24</height>
         </size>
        </property>
        <property name="maximumSize">
         <size>
          <width>110</width>
          <height>24</height>
         </size>
        </property>
        <property name="focusPolicy">
         <enum>Qt::StrongFocus</enum>
        </property>
        <property name="text">
         <string>1</string>
        </property>
        <property name="frame">
         <bool>true</bool>
        </property>
        <property name="echoMode">
         <enum>QLineEdit::Normal</enum>
        </property>
        <property name="alignment">
         <set>Qt::AlignRight</set>
        </property>
       </widget>
      </item>
      <item row="2" column="1">
       <widget class="QLabel" name="time_lineedit">
        <property name="text">
         <string>0.01</string>
        </property>
        <property name="alignment">
         <set>Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter</set>
        </property>
       </widget>
      </item>
      <item row="2" column="0">
       <widget class="QLabel" name="simulationtime_edit">
        <property name="minimumSize">
         <size>
          <width>50</width>
          <height>0</height>
         </size>
        </property>
        <property name="focusPolicy">
         <enum>Qt::NoFocus</enum>
        </property>
        <property name="lineWidth">
         <number>1</number>
        </property>
        <property name="text">
         <string>(total time:</string>
        </property>
        <property name="textFormat">
         <enum>Qt::AutoText</enum>
        </property>
        <property name="alignment">
         <set>Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter</set>
        </property>
       </widget>
      </item>
      <item row="1" column="0">
       <widget class="QLabel" name="Label_5">
        <property name="minimumSize">
         <size>
          <width>130</width>
          <height>0</height>
         </size>
        </property>
        <property name="focusPolicy">
         <enum>Qt::NoFocus</enum>
        </property>
        <property name="lineWidth">
         <number>1</number>
        </property>
        <property name="text">
         <string>timestep</string>
        </property>
        <property name="textFormat">
         <enum>Qt::AutoText</enum>
        </property>
        <property name="alignment">
         <set>Qt::AlignLeading|Qt::AlignLeft|Qt::AlignVCenter</set>
        </property>
       </widget>
      </item>
      <item row="3" column="1">
       <widget class="QLineEdit" name="temperature_lineedit">
        <property name="sizePolicy">
         <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
          <horstretch>0</horstretch>
          <verstretch>0</verstretch>
         </sizepolicy>
        </property>
        <property name="minimumSize">
         <size>
          <width>110</width>
          <height>24</height>
         </size>
        </property>
        <property name="maximumSize">
         <size>
          <width>110</width>
          <height>24</height>
         </size>
        </property>
        <property name="focusPolicy">
         <enum>Qt::StrongFocus</enum>
        </property>
        <property name="toolTip">
         <string>Temperature in which the simulation runs</string>
        </property>
        <property name="text">
         <string>300</string>
        </property>
        <property name="frame">
         <bool>true</bool>
        </property>
        <property name="echoMode">
         <enum>QLineEdit::Normal</enum>
        </property>
        <property name="alignment">
         <set>Qt::AlignRight</set>
        </property>
       </widget>
      </item>
      <item row="0" column="2">
       <widget class="QLabel" name="textLabel2">
        <property name="text">
         <string/>
        </property>
       </widget>
      </item>
      <item row="3" column="0">
       <widget class="QLabel" name="temperature">
        <property name="sizePolicy">
         <sizepolicy hsizetype="Expanding" vsizetype="Preferred">
          <horstretch>0</horstretch>
          <verstretch>0</verstretch>
         </sizepolicy>
        </property>
        <property name="minimumSize">
         <size>
          <width>150</width>
          <height>0</height>
         </size>
        </property>
        <property name="focusPolicy">
         <enum>Qt::NoFocus</enum>
        </property>
        <property name="lineWidth">
         <number>1</number>
        </property>
        <property name="text">
         <string>temperature</string>
        </property>
        <property name="textFormat">
         <enum>Qt::AutoText</enum>
        </property>
        <property name="alignment">
         <set>Qt::AlignLeading|Qt::AlignLeft|Qt::AlignVCenter</set>
        </property>
       </widget>
      </item>
      <item row="3" column="2">
       <widget class="QLabel" name="Label_4_2_3">
        <property name="minimumSize">
         <size>
          <width>25</width>
          <height>0</height>
         </size>
        </property>
        <property name="focusPolicy">
         <enum>Qt::NoFocus</enum>
        </property>
        <property name="lineWidth">
         <number>1</number>
        </property>
        <property name="text">
         <string>K</string>
        </property>
        <property name="textFormat">
         <enum>Qt::AutoText</enum>
        </property>
        <property name="alignment">
         <set>Qt::AlignLeading|Qt::AlignLeft|Qt::AlignVCenter</set>
        </property>
       </widget>
      </item>
     </layout>
    </widget>
   </item>
  </layout>
 </widget>
 <layoutdefault spacing="6" margin="11"/>
 <tabstops>
  <tabstop>steps_lineedit</tabstop>
  <tabstop>timestep_linedit</tabstop>
  <tabstop>temperature_lineedit</tabstop>
  <tabstop>refresh_lineedit</tabstop>
  <tabstop>canonical_button</tabstop>
  <tabstop>microcanonical_button</tabstop>
  <tabstop>useAmberRadioButton</tabstop>
  <tabstop>useCharmmRadioButton</tabstop>
  <tabstop>useMMFF94RadioButton</tabstop>
  <tabstop>advanced_button</tabstop>
  <tabstop>enable_dcd</tabstop>
  <tabstop>dcd_file_edit</tabstop>
  <tabstop>browse_button</tabstop>
  <tabstop>start_button</tabstop>
  <tabstop>cancel_button</tabstop>
 </tabstops>
 <includes>
  <include location="global">BALL/COMMON/global.h</include>
 </includes>
 <resources/>
 <connections/>
</ui>
