[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.
Peter C. Lai | University of Alabama-Birmingham
Programmer/Analyst | BEC 257
Genetics, Div. of Research | 1150 10th Avenue South
pcl at uab.edu | Birmingham AL 35294-4461
(205) 690-0808 |
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