NAMD Integration algorithm

From: Nava Whiteford (nwhiteford_at_tchpc.tcd.ie)
Date: Thu Feb 15 2007 - 07:44:03 CST

Hi,

I would like to modify NAMD in order to try some alternative integration
algorithms we are interested in.

>From my initial investigation of the source code it looks like
Sequencer::integrate() is the method I should be looking at, is this
correct?

Is any source code documentation available for NAMD 2.6? I have been
reading the NAMD 1.5 Programming Guide but it appears that things have
changed substantially.

Many thanks,

Nava Whiteford

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:46:02 CST