[gmx-users] Avoid generation of angles, pairs and dihedrals from pdb2gmx

Da-Wei Li lidawei at gmail.com
Fri Jul 16 17:17:41 CEST 2010

You can just delete them in the generated top file.


On Fri, Jul 16, 2010 at 10:45 AM, C. Batistakis <cbatiss at yahoo.gr> wrote:

> Dear all
> According to the manual, pdb2gmx generates all the angles, pairs and
> dihedrals automatically in a polymer chain. Because I need nothing of them
> do you know any fast way to avoid this generation?
> The only think I found in the manual is to add [ exclusions ] in the .rtp
> file for whatever I don't want to be generated, but I am wondering if there
> is any better way.
> Thanks in advance
> Chrysostomos
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