[gmx-users] Change forcefield directory

[Dhr. D.W. Sjoerdsma (d.w.sjoerdsma)]

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.susaneappen at 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-request at gromacs.org.