M Hafizur Rahman wrote:
Hi all:
Anyone can help me using Langevin Dynamics in GROMACS. Where does the
friction coefficient goes and How we can change the forece field to
include PMF.
For Langevin dynamics, read manual sections 3.8 or 3.9, depending on what you
want to do. Associated run control parameters are in section 7.3.3, or online:
http://www.gromacs.org/documentation/reference_4.0/online/mdp_opt.html
As for PMF, read manual sections 6.1, 6.3, and/or 6.4.
-Justin
Thanks,
M. Rahman
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--
========================================
Justin A. Lemkul
Graduate Research Assistant
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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