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
genion...
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.
Best
Martin
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