[gmx-users] Saving Changes in FF files

João Henriques joao.henriques.32353 at gmail.com
Fri Jun 19 16:48:56 CEST 2015


Dear Farideh,

This doesn't look like a gromacs related issue. Still, and without knowing
further detail, it's very likely that you do not have the right access
permissions to respective file system.
If you're using a terminal on a Unix-like OS, you'll either have to edit
the files as super user (sudo or su) or change the permissions (chmod).
There are countless online tutorials about these simple tasks. Google is
your friend.
An easier and safer solution is to keep the original force field untouched,
and make a copy of it. Edit the copy instead. You can either use this copy
directly or make a symbolic link of it in your simulation directory.
pdb2gmx reads the local directory in search of user force fields.

I haven't used Windows in many years, so I wouldn't know how to help you
there.

Best regards,
João


On Fri, Jun 19, 2015 at 4:26 PM, faride badalkhani <
farideh.khamseh at gmail.com> wrote:

> Dear gmx-users,
>
> I am having a question about saving changes in .atp, .itp, and .rtp files
> in GROMOS53A6 force field. I know it may be a strange question for you, but
> I am a beginner at FF parametrization, and I cannot save the changes that I
> need in mentioned files.
>
> Truly yours,
> Farideh
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