[gmx-users] TER cards in gromacs

Mark Abraham mark.j.abraham at gmail.com
Wed May 6 13:08:53 CEST 2015


Hi,

Please see pdb2gmx -h regarding -chainsep

Mark

On Wed, May 6, 2015 at 10:32 AM Urszula Uciechowska <
urszula.uciechowska at biotech.ug.edu.pl> wrote:

>
> Hi
> I have a DNA-proteins complex that consists of 3 protein receptors and one
> DNA molecule. I want the receptors to be non-bonded, in AMBER I used TER
> cards what should I use in GROMACS?
> I tried to load pdb with TER cards between the receptors however after
> running pdb2gmx and then editconf I obtained a complex with bonded
> receptors. What should I do?
>
> best regards
> Urszula Uciechowska
>
>
>
> University of Gdansk and Medical Univesity of Gdansk
> Department of Molecular and Cellular Biology
> ul. Kladki 24
> 80-822 Gdansk
> Poland
>
>
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