li ming wrote:
Hi! all:
I am informed in OPENMM website that the OPENMM can accelerate GPU
calculation of GROMACS in Windows System. How can I apply this method to
my study? Any ideas will be welcomed!!!
Probably you can't incorporate it in any conventional MD study. See the
supported feature list here http://wiki.gromacs.org/index.php/OpenMM_GROMACS
My display card in my PC is in ATI series, and the lib of OPENMM is not
provided in OPENMM website...So I guess I can do this simulation only in
Windows.
I just know that OPENMM zephyr could achieve this goal, but only AMBER
forcefield is permitted. Did GROMACS have the WINDOWS version after
GROMACS 4? Or can I use cygwin to do simulation in WIndows using GPU.
GROMACS 4.x can run under cygwin. Maybe you can get the OpenMM version
of GROMACS to run natively or under Cygwin, but you should seek your
help from the people who released that version.
Mark
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