[gmx-users] Calculating the helix moments

[Justin Lemkul]

On 1/6/13 8:39 PM, 라지브간디 wrote:
> Dear users,
>
>
> I want to know how to calculate
>
>
> 1. The rotation angle of helix moments ?

Probably g_principal does what you want.

> 2. number of water molecules interaction with ligand throughout the MD course ?
>

g_mindist can calculate contacts between any groups you choose.

-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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