On 1/3/13 3:34 AM, 라지브간디 wrote:
Dear gmx users,
I would like to know to how to set the particular atom, Lennard Jones potential
function (12-6) value of sigma and epsilon in CHARMM27 force field?
For example, i want to give the manual LJ interaction value for C atom in
charmm27? should i give my value in ffnonboneded.itp ??? Plz advice me.
Yes. That's where nonbonded parameters are specified.
-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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