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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