electrostatics NAMD vs CHARMM

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


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.


Arturas Ziemys, PhD
  School of Health Information Sciences
  University of Texas Health Science Center at Houston
  7000 Fannin, Suit 880
  Houston, TX 77030
  Phone: (713) 500-3975
  Fax:   (713) 500-3929  

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