Pressure Profile Simulation

From: Gan, Yong \(UMC-Student\) (
Date: Wed Aug 24 2005 - 21:36:51 CDT

Hello, Dear All:

I have one question about the pressure profile calculations.

According to my understanding, the method to get the pressure profile has two steps. First, conduct the MD simulation to obtain the pressure profile without the nonbonded term; Secondly, use
 the DCD file and Tcl script to get the nonbonded term only; Last, the sum of the above two results is the desired pressure profile. It it right?

Thanks a lot!


This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:41:05 CST