[gmx-users] imprper dihedrals

Vitaly V. Chaban vvchaban at gmail.com
Tue Sep 22 08:28:20 CEST 2009


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.

Thanks a lot!

Vitaly V. Chaban, Ph.D. (ABD)
School of Chemistry
V.N. Karazin Kharkiv National University
Svoboda sq.,4, Kharkiv 61077, Ukraine
email: chaban at univer.kharkov.ua,vvchaban at gmail.com
skype: vvchaban, cell.: +38-097-8259698
!!! Looking for a postdoctoral position !!!

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