[gmx-users] Set up anti parallel membrane system for CompEL simulation

Zheng Ruan zruan1991 at gmail.com
Mon May 4 21:33:28 CEST 2020


I'm trying to setup an antiparallel membrane system for CompEL simulation.
It is relatively straightforward to convert an existing single membrane
system to a parallel system by using

# gmx genconf -f system.gro -nbox 1 1 2 -o system.parallel.gro

However, is there an easy way to invert one of the membrane protein
configurations along with the membrane, water and ions?


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