From: Thomas C. Bishop (bishop_at_tulane.edu)
Date: Thu Dec 06 2007 - 15:22:49 CST
I'm trying to analyze the forces on every atom during my simulation.
In version 1.6 namd allowed for a force dcd file using same config
options as for velocity or coordinate dcds.
Any way to keep a record of the forces on each and every atom during a
simulation other than the tcl interface?
How much would using tcl to dump the forces on all atoms slow down a
simulation?
Any ideas/assistance greatly appreciated.
Tom
-- *********************** * Thomas C. Bishop * *Office: 504-862-3370 * *CCS: 504-862-8391 * *Fax: 504-862-8392 * ***********************
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:45:40 CST