Re: How I can run two simulations one after an other

From: Michael Grabe (
Date: Tue Dec 14 2004 - 15:15:36 CST


i do this all the time. here are two different scripts for
doing similar things.
the language will obviously depend on which shell you
are using.

1) this script is really simple, it sequentially calls on different
NAMD input files. each of the subsequent files requires output
from the previous run.

2) this particular script runs forward FEP calculations
saves the results and then runs the backward calculations.

i hope this helps.


On Tuesday, December 14, 2004, at 12:30 PM, Shahid Qamar wrote:

> Hi Folks,
> I have 6 simulatuions and I want to run them in way that 2nd strats
> once the fiirst finishes and 3rd strat s when the 2nd finishes and so
> on. I need a script for my configuration file. Any body has done it
> before?
> Help. comments suggestions and even a script will be welcome.
> Thanks for your help.
> Shahid Qamar
Michael Grabe, Ph.D.
Genetics Development & Behavioral Science Building
1550 4th Street, GD 481
San Francisco, CA 94143-0725
tel: ++ 415.476.0421

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:39:03 CST