[gmx-users] dihedraltypes amber forcefield

Justin Lemkul 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.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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