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 reasonable . 2008/7/4, Chih-Ying Lin <[EMAIL PROTECTED]>: > > Hi > 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. > > Right?? > > thanks > Lin > _______________________________________________ > gmx-users mailing list [email protected] > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php >
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