[gmx-users] gencof - creating inverted double bilayer systems
ckutzne at gwdg.de
Sat Sep 30 10:22:48 CEST 2017
> On 30. Sep 2017, at 09:50, David van der Spoel <spoel at xray.bmc.uu.se> wrote:
> On 29/09/17 15:10, Carlos Navarro wrote:
>> Dear all,
>> I’m currently running computational electrophysiology simulations which
>> need double bilayer systems.
>> I know that with gencof -f input.gro -nbox 1 1 2 -o output.gro I can
>> effectively create a duplicate of my system like
>> But what I need is to create a system like this:
>> (Image inverted) or like this:
>> Is there a way to do this with gencof solely? If not, what commands do you
>> suggest me to use?
> try editconf -scale 1 1 -1
What happens to molecules in that case?
But editconf -rotate x y z should also work.
>> Best regards and thanks in advance,
>> Carlos Navarro Retamal
>> Bioinformatic Engineering. PhD.
>> Postdoctoral Researcher in Center of Bioinformatics and Molecular
>> Universidad de Talca
>> Av. Lircay S/N, Talca, Chile
>> E: carlos.navarro87 at gmail.com or cnavarro at utalca.cl
> David van der Spoel, Ph.D., Professor of Biology
> Head of Department, Cell & Molecular Biology, Uppsala University.
> Box 596, SE-75124 Uppsala, Sweden. Phone: +46184714205.
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