[gmx-users] define a new residue
Justin A. Lemkul
jalemkul at vt.edu
Sun Jul 8 18:32:57 CEST 2012
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 A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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