From: Alexandr Isayev (
Date: Wed Feb 28 2007 - 14:23:11 CST

Hello everyone,

I have reactive MD trajectory. The number of molecules along the
trajectory path is changing since they participate into different
reactions. If anybody has a script/hint how to calculate the number
(time evolution) of some specific molecule(s) along this path?

Thank you very much in advance!

Alexandr Isayev,
Graduate Research Assistant, and System Administrator
@ Computational Center for Molecular Structure
and Interactions (CCMSI),
Jackson State University,
Jackson, MS USA
   Tel: +(601) 979-1134
e-mail: alex(at)