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 Fatal error: Invalid dihedral type 9 Is it because of the differences between versions? Thanks in advance, Shima
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