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.gmail.com
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Received on Wed Feb 20 2008 - 06:07:42 PST
