On 9/12/12 3:29 AM, [email protected] 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
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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