[gmx-users] imprper dihedrals
Mark.Abraham at anu.edu.au
Tue Sep 22 08:32:21 CEST 2009
Vitaly V. Chaban wrote:
> What is a correct way to include improper dihedrals into the force
> field? I have four atom numbers, then dihedral value and one value of
> the force constant.
> [ impropers ]
> 1 2 3 4 2 180 N
> doesn't work.
> Looking through the existing force fields I did not conclude about an
> exact syntax.
[ impropers ] is not recognized. See table 5.4 in section 5.7
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