[gmx-users] extract subset from cpt?

Peter C. Lai pcl at uab.edu
Thu Aug 18 20:50:07 CEST 2011


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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Peter C. Lai			| University of Alabama-Birmingham
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