[gmx-users] A simple em.mdp and md.mdp file for GMX 5.0

Alan alanwilter at gmail.com
Tue Oct 27 19:10:35 CET 2015

On 27 October 2015 at 14:59, Mark Abraham <mark.j.abraham at gmail.com> wrote:

> 3nm box

Dear Mark, 3nm in gro file sorted my issue. I was pulling my hair putting
10 nm (>5 times the largest vector of my molecule) and it was not working.

Many thanks!


Alan Wilter SOUSA da SILVA, DSc
Senior Bioinformatician, UniProt
European Bioinformatics Institute (EMBL-EBI)
European Molecular Biology Laboratory
Wellcome Trust Genome Campus
Cambridge CB10 1SD
United Kingdom
Tel: +44 (0)1223 494588

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