[gmx-users] extract subset from cpt?
roland at utk.edu
Thu Aug 18 20:57:53 CEST 2011
you can use trjconv for that (or editconf). You probably would want to add
some waters though.
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
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