[gmx-users] A problem with gromacs versions
shima_arasteh2001 at yahoo.com
Tue May 1 10:49:06 CEST 2012
Dear gmx users,
I've installed the gromacs version 4.5.5 on my laptop. But the version of gromacs on the cluster, which I want to run MD, is 4.0. First of all. is it possible that I use this one?
Secondly, when I run this command, I get a fatal error as below:
# grompp -f md.mdp -c npt.gro -t npt.cpt -p popc.top -o md.tpr
Invalid dihedral type 9
Is it because of the differences between versions?
Thanks in advance,
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users