[gmx-users] GPUs and umbrella sampling

Guido Polles guido.polles at gmail.com
Mon Jul 18 17:37:15 CEST 2011

Hi everybody,
  I noticed that GPU version of gromacs do not support the pull code,
hence i suppose g_wham cannot be used to extract a PMF. I would like
to just ask if somebody could suggest or give any hint about the way
to do umbrella sampling and extract a PMF without pull code, so that I
will have an idea before I start diving deeper into the issue, make
mistakes and potentially write useless code.
Thanks in advance for any advice.
Guido Polles

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