On 9/4/12 7:37 AM, [email protected] wrote:
I everybody,
I add a phosphate to my structure. Now I want to minimize the structure.
For this approach I have to add the serine with the phosphate as a new
residue (SEP).
To do this I first added it into the file "aminoacids.rtp". But here I
have a question. Is the number after the atom the charge of the atom?
Yes. There is a fully annotated .rtp entry in the manual, section 5.6.1.
-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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