[gmx-users] imprper dihedrals

Mark Abraham Mark.Abraham at anu.edu.au
Tue Sep 22 08:32:21 CEST 2009


Vitaly V. Chaban wrote:
> Hi,
> 
> 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

Mark



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