>> I am aware of the fact that GROMACS "doesn't really like" crystal structure, >> but this is generally fine with me since I run my simulations in a region >> which is experimentally know to be liquid state (both the water and >> methane). I am aware t hat it works best with liquids, and that is very well >> since it is exactly the liquid phases of the mixture that I'm interested >> in. > > > At 600K and under 25kbar ... water&methane mixture ... liquid state > .... Hmmmm. Did you point out incorrect pressure?
Sorry, my fault. I read "bar" as "Pa". The system should be liquid then. This does not change other considerations, though. Dr. Vitaly V. Chaban -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
