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

From: Vijay Manickam Achari <>
Date: Wed, 20 Feb 2008 05:39:46 +0000 (GMT)

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.


Vijay Manickam Achari
(Phd Student c/o Prof Rauzah Hashim)
Chemistry Department,
University of Malaya,
 Sent from Yahoo! &#45; a smarter inbox.
The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Wed Feb 20 2008 - 06:07:42 PST
Custom Search