[gmx-users] Extending multidir simulations

Joseph Brock joseph.brock at ki.se
Sun Nov 26 19:50:13 CET 2017

Dear gmx community,

I would like to extend a simulation I ran using the mdrun -multidir option. Ideally, it would be good to extend .cpt files in all subdirectories simultaneously to make efficient use of a GPU node.

I looked here: http://www.gromacs.org/Documentation/How-tos/Extending_Simulations
but it does not seem to cover the -multidir scenario. I could also not find any info about this searching the gmx-list archives and elsewhere on google. I am probably missing something very obvious, but if someone more experienced wouldn't mind pointing it out to me, I would be extremely grateful.

With thanks in advance,

Joseph Brock | PhD
Division of Physiological Chemistry II
Department of Medical Biochemistry and Biophysics
Karolinska Institutet
Scheeles väg 2
SE-171 77 Stockholm, Sweden

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