[gmx-users] (no subject)

[Justin A. Lemkul]

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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