AMBER Archive (2008)

Subject: AMBER: is that possible fix box size in constant pressure MD

From: Vijay Manickam Achari (vjrajamany_at_yahoo.com)
Date: Tue Feb 19 2008 - 23:39:46 CST

Dear amber users,

Is there any possibility to fix the size of Periodic Box size during equilibrium or MD run in AMBER?
We use to minimize the system using constant volume option.
But, how if i want to equilibrate or run MD in constant box size?
Because, the water from top of my bilayer system fall apart due tot he increase of box size.

regards
Vj

Vijay Manickam Achari
(Phd Student c/o Prof Rauzah Hashim)
Chemistry Department,
University of Malaya,
Malaysia
 vjramana_at_gmail.com
       
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