[gmx-users] extract subset from cpt?

[Roland Schulz]

Hi,

you can use trjconv for that (or editconf). You probably would want to add
some waters though.

Roland

On Thu, Aug 18, 2011 at 2:50 PM, Peter C. Lai <pcl at uab.edu> wrote:

> Is there anyway I can extract a subset of atoms from a cpt file, like I can
> with trjconv operating on a traj file? I want to remove a ligand and still
> keep all the remainder of the state information, so I can feed this back
> into grompp with a modified topology and "continue" a run without the
> ligand.
>
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