On 5/31/12 7:37 AM, Subramaniam Boopathi wrote:
how to assign charge and charge group number when new residue as being added to
the existing amino acid rtp file
The details depend on the force field you're using.
http://www.gromacs.org/Documentation/How-tos/Parameterization
-Justin
--
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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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