[gmx-users] gmx make_ndx - separating pulling groups by fragments
vprytkov
vprytkov at uci.edu
Tue Oct 4 05:33:17 CEST 2016
Hello! I'm trying to conduct a pulling simulation with two identical
proteins and centers of mass distance being the reaction coordinate.
They are distinguished by fragment index in vmd (0 and 1), but the
residues in the .gro file run from 1 to 178 and again from 1 to 178. How
to I used make_ndx command to create an index file for the pulling
simulation?
Thank you!
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