Am 04.05.20 um 21:33 schrieb Zheng Ruan:

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?

You could try:

gmx editconf -rotate 90 0 0

Cheers, Jochen


Prof. Dr. Jochen Hub
Theoretical Biophysics Group
Department of Physics, Saarland University
Campus E2 6, Zi. 4.11, 66123 Saarbruecken, Germany
Phone: +49 (0)681 302-2740
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