[gmx-users] topol files

Mark Abraham mark.j.abraham at gmail.com
Mon May 15 22:16:21 CEST 2017


The moleculetype sections are intended to be combined in the system
directive, with your favourite text editor. This is even quicker than
combining gro files ;-)


On Mon, 15 May 2017 22:07 Alex <alexanderwien2k at gmail.com> wrote:

> Hello gromacs user,
> I have for peptides, each have a .gro file and a topol file. Using the
> "cat" command I can easily merge their .gro file to have a box contains
> four separated peptides (means I do not want to make a new big peptide but
> seprated), but merging their topol files is not a easy task for me, I was
> wondering how I can merge their toplo files? The OPLS-AA is used as force
> filed for all of them.
> Thanks.
> Regards,
> Alex
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