From: David Hardy (dhardy_at_ks.uiuc.edu)
Date: Mon Sep 11 2017 - 17:21:11 CDT
Hi Dave,
No, NAMD evaluates non-bonded interactions using a fixed cutoff distance.
Best regards,
Dave
-- David J. Hardy, Ph.D. Theoretical and Computational Biophysics Beckman Institute, University of Illinois dhardy_at_ks.uiuc.edu http://www.ks.uiuc.edu/~dhardy/ > On Sep 11, 2017, at 4:58 PM, David Huggins <djh210_at_cam.ac.uk> wrote: > > Hello all, > > I have a question about the use of electrostatics in NAMD using a > cutoff (not PME). Does NAMD use a molecule-based cutoff? > > Thanks, > > Dave > > > ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ > > Dr David J. Huggins > University of Cambridge > Theory of Condensed Matter Group > Cavendish Laboratory > JJ Thomson Avenue > Cambridge, CB3 0HE > United Kingdom > > Phone: +44 (0)1223 766397 > Email: djh210_at_cam.ac.uk > Web: http://huggins-lab.tcm.phy.cam.ac.uk/ > > ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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