Vytautas Gapsys
- Email: vgapsys@gwdg.de
- Registered on: 08/08/2018
- Last connection: 08/14/2019
Issues
Activity
08/14/2019
- 02:08 PM GROMACS Bug #3056: Miscalculated LJ(SR) when running with GPU?
- The difference between CPU and GPU LJ-SR disappears when rcoulomb and rvdw are set to the same value (tested with 201...
08/08/2018
- 11:14 AM GROMACS Feature #2601 (New): Free energy calculations, soft-core potential
- Current Gromacs implementation of the soft-core potential for free energy calculations implements a version described...
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