[gmx-users] Change forcefield directory

[Dawid das]

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.susaneappen at 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
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