General

Profile

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...

Also available in: Atom