[gmx-users] Input/Output error using grompp

Martin Höfling martin.hoefling at gmx.de
Mon May 18 13:36:22 CEST 2009

Am 18.05.2009 um 13:26 schrieb Stefano Meliga:
> my command line is:
> >> grompp -r 4AKEpolHsol.gro -4AKEpolH.top -o 4AKEpolH.tpr -po  
> 4AKEpolH.mdp

what's your 2nd argument?

the grompp.mdp is afaik mandatory - you can just create an empty one  
before, e.g. if you grompp for genion...

touch dummy.mdp
grompp -f dummy.mdp

> Can it be an issue related with my cpp pre-processor?

Gromacs 4 has it's own built in pre-processor from what I know.


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