[gmx-users] Change forcefield directory

[Dawid das]

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.sjoerdsma at 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.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
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