From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Mon Mar 09 2015 - 01:44:18 CDT
For implicit solvent you need to use GBIS
From: owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] On Behalf Of Gisella Alfonsino
Sent: Sunday, March 08, 2015 11:36 AM
Subject: namd-l: about langevin dynamics
I ran a simulation with a protein (all-atom) anchored to a sbcg membrane with langevin dynamics to treat implicitly the solvent.
Does Langevin dynamics take into account the dielectric constant of water, therefore the electrostatic screening?
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