Hi, Nicholas could you send us the solv.gro file?
Tommy 2014-08-15 15:04 GMT+02:00 Mark Abraham <[email protected]>: > Hi, > > Giving your command lines would also have been useful. As it is, I'll guess > you were using -maxsol. > > Mark > > > On Fri, Aug 15, 2014 at 5:32 AM, Nikolaos Michelarakis <[email protected]> > wrote: > > > I added them manually in the initial fws.gro file and changed the number > on > > top. If you see the solv.gro file, they are included, along with the > > solvent, but for some reason, 42 less solvent atoms are added. > > > > Thanks, > > > > Nicholas > > -- > > 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]. > > > -- > 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]. > -- 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].
