[gmx-users] Invalid Diherdrals
Taeho Kim
taeho.kim at utoronto.ca
Sat Mar 29 18:46:01 CET 2003
Hi,
I got fatal error " Invalid dihedral type 1000" while doing grompp for PR MD. I built 80 surfactant molecules (using genconf/genbox) and did MD in vacuum(after EM), but when I added tens of same molecules more, I got the problem.
What does it mean? Is it invalid structure of molecules? Or is it related to the distance between two molecules added.
Thank
Taeho
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