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Eric Irrgang

  • Registered on: 10/04/2016
  • Last connection: 04/28/2020

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07/10/2020

02:34 PM GROMACS Revision 14ed2a49: Fix libgromacs CMake target install syntax.
Make `install(TARGETS libgromacs...` conform to the documented usage at
https://cmake.org/cmake/help/v3.13/command/in...

06/27/2020

05:31 AM GROMACS Revision 560b4d82: Add missing ABI header.
simulatorbuilder.cpp did not include "gmxpre.h"

06/26/2020

12:54 PM GROMACS Revision 8675f1ac: Implement SimulatorBuilder.add() for BoxDeformationHandle.
Refs #3567
12:54 PM GROMACS Revision f10bdf0c: Use TopologyData.
Refs #3567
12:54 PM GROMACS Revision 245afe5e: Use IonSwapping parameter.
Refs #3567
12:54 PM GROMACS Revision e732c0b2: Use CenterOfMassPulling
Refs #3567
12:54 PM GROMACS Revision cca28c92: Use ReplicaExchange member instead of build() argument.
Refs #3567
12:54 PM GROMACS Revision 518f2dc0: Use SimulatorModules parameter.
Refs #3567
12:54 PM GROMACS Revision 8d50b2ed: Use InteractiveMD SimulatorBuilder parameter.
Refs #3567
12:54 PM GROMACS Revision b2d51844: Use LegacyInput.
Refs #3567

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