Consecutive Simulations

From: Keith Battle (keith.battle_at_gmail.com)
Date: Thu Feb 25 2010 - 09:25:33 CST

Hi NAMD world,

I was wondering if it is possible to make an input file to perform a
simulation first at NVE, then at NVT, then at NPT conditions
consecutively. Basically I would like to execute the following
pseudo-script:

Input NVE conditions
run 100000
Input NVT conditions
run 100000
Input NPT conditions
run 100000

Best,

Keith Battle
University of South Alabama

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