pair interaction analysis of multiple trajectories with different timestep

From: Shirley Li (
Date: Wed May 17 2006 - 10:18:03 CDT

Dear NAMD experts,
 1) I have some questions about pair interaction calculations. I have several trajectories, in which different "timestep" (either 1fs or 2fs) was used. I wonder how to do the "Pair Interaction" calculation in one SINGLE run. I saw sb else posted a similar question:, while from the answer, the example file only specifies "timestep" =1, and "incr ts 1000". I wonder should "timestep" be specified individually for each trajectory, as well as "incr ts".
 2) Besides, for the pair interaction energy between ASP and ARG residues, could anyone give me a rough idea how much is should be?
 Thanks a lot.
Blab-away for as little as 1/min. Make PC-to-Phone Calls using Yahoo! Messenger with Voice.

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:42:04 CST