On 7/8/12 11:29 AM, Shima Arasteh wrote:
Thanks all.
So if I find a protein which is parametrized by CHARMM and then find the valine
residue there, I might use the parameters of side chains of it in my own rtp
file. Right?
You can look this up in the force field's .rtp file. For full parameterization
procedures, refer to the primary literature for CHARMM. It should detail how to
derive parameters for new species.
-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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