Dear Justin Lemkul, Is the position restrain very important for NVT and NPT steps? I have an ionic liquid that made of 2 fragment, cation and anion, but cation fragment didn't restrain at the NVT and NPT steps. I did production posre.itp for cation and anion .gro file and included to topology file but just anion was restrained,what must i do?
Regards, Mahdavi On Tuesday, November 4, 2014 6:02 PM, asasa qsqs <[email protected]> wrote: Is the position restrain very important for NVT and NPT steps? I have an ionic liquid that made of 2 fragment, cation and anion, but cation fragment didn't restrain at the NVT and NPT steps. I did production posre.itp for cation and anion .gro file and included to topology file but just anion was restrained,what must i do? Regards, Mahdavi -- 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 [email protected].
