[gmx-users] errors depending on (lack of) solvent

gianluca santarossa gianluca.santarossa at unimib.it
Mon Jan 26 16:50:01 CET 2004

> You cant split one molecule over multiple processors, remove the -np 4
> from grompp commandlines, and run mdrun without mpirun -np4.

So, isn't there a way to run parallel simulations of a single molecule
on 2 or more machines?



Gianluca Santarossa
Molecular Modelling Laboratory
Dept. of Biothecnology and Biosciences
Universty of Milano Bicocca
P.zza della Scienza 2
20126 Milan, Italy
Tel: +39-02-6448-3475
gianluca.santarossa at unimib.it

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