[gmx-users] simulate Gas Phase system
wangkelvin64 at gmail.com
Thu Jul 10 09:31:33 CEST 2008
i think you should modify force field if GROMACS's force field parameters
are gotten from condensed matter with relativly high density ,when your
simultaion is on gas phase. so you should check GROMACS's force field files
in top directory first.
just a suggestion , i am also new to GROMACS simulation . if you use force
field parameters from high density state, obviously it is not physically
2008/7/4, Chih-Ying Lin <chihying2008 at gmail.com>:
> to simulate the gas phase system, before running MD on the gas phase system
> I have to use the "editconf" command.
> But, I DO NOT use "genbox" command.
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