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

[Jochen Hub]

Am 04.05.20 um 21:33 schrieb Zheng Ruan:
> Hi,
> 
> 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

> 
> Thanks,
> Zheng
> 

-- 
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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
https://biophys.uni-saarland.de/
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