[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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