[gmx-users] What is gbsa.itp in oplsaa of gmx4.5.5?

[Justin Lemkul]

On 9/2/12 5:14 AM, Wu Chaofu wrote:
> Dear gmxers,
> I am puzzling about the gbsa.itp file as listed below. What does each
> item mean? Could you please explain it?
> ;atype  sar st pi gbr hct
> opls_102 0.16 1 1.215 0.1625 0.79 ; N (RNH3+)
> ................................................

Manual section 5.3.5 and references therein cover this file and its contents.

-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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