flexible cell for MD simulations

From: Michel Espinoza-Fonseca (mef_at_ddt.biochem.umn.edu)
Date: Thu Mar 10 2005 - 16:25:17 CST

Hi all,
Does anybody know the advantages/disadvantages of the use of flexible
cell (That is, anisotropic fluctuations in the periodic cell) for the
simulation of peptides, using NAMD? I usually employ a rigid cell, but
any comment is really welcome.
Cheers,
Michel

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:40:35 CST