RE: about langevin dynamics

From: Norman Geist (
Date: Mon Mar 09 2015 - 01:44:18 CDT

For implicit solvent you need to use GBIS


Norman Geist.


From: [] On Behalf Of Gisella Alfonsino
Sent: Sunday, March 08, 2015 11:36 AM
Subject: namd-l: about langevin dynamics


Dear Madam/Sir,

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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