version 1.1242 | version 1.1243 |
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/***************************************************************************** | /***************************************************************************** |
* $Source: /home/cvs/namd/cvsroot/namd2/src/SimParameters.h,v $ | * $Source: /home/cvs/namd/cvsroot/namd2/src/SimParameters.h,v $ |
* $Author: jim $ | * $Author: jim $ |
* $Date: 2016/09/05 18:25:43 $ | * $Date: 2016/09/07 18:09:59 $ |
* $Revision: 1.1242 $ | * $Revision: 1.1243 $ |
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#ifndef SIMPARAMETERS_H | #ifndef SIMPARAMETERS_H |
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//fepb | //fepb |
| Bool alchOnAtStartup; // Ensure that alchemy is set up properly |
Bool alchOn; // Doing alchemical simulation? | Bool alchOn; // Doing alchemical simulation? |
Bool alchFepOn; // Doing alchemical simulation? | Bool alchFepOn; // Doing alchemical simulation? |
Bool alchThermIntOn; // Doing thermodynamic integration? | Bool alchThermIntOn; // Doing thermodynamic integration? |