Dear Justin, I was talking about changing GMXLIB, because she has to transfer her force field files to a different directory than Gromacs is installed in. I am in the same situation and what I did was to copy a whole gromacs-2016.4/share/top directory to my home and changed GMXLIB for this directory. So can changing GMXLIB do anything bad in this case?
Best wishes, Dawid Grabarek czw., 8 sie 2019 o 20:57 Dhr. D.W. Sjoerdsma (d.w.sjoerdsma) < d.w.sjoerd...@umail.leidenuniv.nl> napisał(a): > Dear Neena, > > You can either copy the force field folder to your working folder (I > usually go > for this) and then it should show up in the interactive window or add the > flag > -ff and include the path to the folder like so: pdb2gmx -ff > /programs/x86_64-linux/gromacs/2018.4/share/gromacs/top/ > > > Good luck! > Derk > > > n August 8, 2019 at 8:26 PM Neena Susan Eappen > <neena.susaneap...@mail.utoronto.ca> wrote: > > Hello gromacs users, > > > > I had to add a new residue into forcefield, that required copying > > aminoacid.rtp file into my home folder (as gromacs is installed on a > shared > > network). > > During pdb2gmx, how can I redirect the following to my home folder? > Where can > > I edit this change in forcefield directory? > > > > Select the Force Field: > > From '/programs/x86_64-linux/gromacs/2018.4/share/gromacs/top': > > > > Many thanks, > > Neena > > -- > > 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. > -- > 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. > -- 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.
