[gmx-users] Expanding of the boundaries of the enssemble

Mark Abraham mark.j.abraham at gmail.com
Wed Nov 20 11:32:09 CET 2013


Take a frame, apply editconf and genbox?

Mark
On Nov 20, 2013 6:40 AM, "James Starlight" <jmsstarlight at gmail.com> wrote:

> Dear Gromacs Users,
>
> I have 10 snapshots of the MD trajectory in dcd format. Presently I'd like
> to expand boundaries of my system (in all of that 10 conformers) in Z
> dimension and add some water in upper and lower leaflets. Could you suggest
> me most  easily way to do it having only trajectory and the topology as the
> inputs?
>
>
> James
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