[gmx-users] Gromos96 43A1 dihedrals

Fri Dec 20 07:01:57 CET 2002

Hi,
  Would some one tell me about dihedrals' degree in ffG43a1bon.itp file?Why are they 180 or 0.00?What do they mean?
If I want to creat a new molecule's topology,how can I determine the dihedrals?In improper dihedrals, the degrees are not 180 or 0?What should I do to calculate the degrees of dihedrals and improper dihedrals if I should create a new molecule's ffG43a1.itp file?

Bests,
Xianhui Wu
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