electrostatics NAMD vs CHARMM

From: Arturas Ziemys (arturas.ziemys_at_uth.tmc.edu)
Date: Thu May 01 2008 - 11:29:49 CDT

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Hi,

Could anyone give any short comments from one's experience on the
differences of results of, lets say, water structure with respect to
electrostatic methods implemented in CHARMM - force shifting and force
switching, and with NAMD - potential shifting.

Best,
Arturas

-- 
Arturas Ziemys, PhD
  postdoc
  School of Health Information Sciences
  University of Texas Health Science Center at Houston
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