[gmx-users] Calculating the helix moments
jalemkul at vt.edu
Mon Jan 7 02:55:15 CET 2013
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 A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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