shivangi nangia wrote:
Dear gmx-users,
I wish to calculate the number of solvent molecules within certain
radius of the protein all through the trajectory.
Is there any utility available with gromacs to do so?
Dynamic selections can be made with g_select.
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
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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