[gmx-users] dihedraltypes amber forcefield
jalemkul at vt.edu
Wed Sep 12 13:52:14 CEST 2012
On 9/12/12 3:29 AM, reisingere at rostlab.informatik.tu-muenchen.de wrote:
> Hi everybody,
> I get the error that something is wrong with the dihedraltype of 4 atoms
> in my protein when I use the grompp command.
> I looked at the topology file which atoms are involved in this dehedraltype.
> Those are the four atoms: CA CA C OS
> Where can I find out the parameter for this dihedraltype so that I can add
> it to the ffbonded file?
Google search, published literature, or derive the parameters yourself in
accordance with prescribed force field methodology.
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
More information about the gromacs.org_gmx-users