Hi, You need to set the GMXLIB to directory with a modified forcefield. Just copy all other files apart from aminoacids.rtp to a new directory with a forcefield. Also, if you want to be sure that you use a correct force field, you can modify first line of forcefield.doc file into something like "My force field". That's what you'll see when you run your pdb2gmx and will be asked to choose a force field.
Best regards, Dawid Grabarek czw., 8 sie 2019 o 20:27 Neena Susan Eappen < neena.susaneap...@mail.utoronto.ca> napisał(a): > 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.
