[AMBER] Fwd: Query regarding umbrella sampling

From: minhazul arfeen <minhazularfeen.gmail.com>
Date: Sat, 12 Jan 2013 21:37:30 +0530

Dear Sir,


I wish to perform Molecular dynamics simulation using umbrella sampling for
my target protein-ligand complex, But i am not able to get, how to define
path and direction of reaction coordinates in the mdin files for the
simulation runs.

Thanks in advance.

-- 
Warm Regards
Minhazul Arfeen
Ph.D. Scholar
Department of Medicinal Chemistry.
National Institute of Pharmaceutical Education And Research.
Mohali
-- 
Warm Regards
Minhazul Arfeen
Ph.D. Scholar
Department of Medicinal Chemistry.
National Institute of Pharmaceutical Education And Research.
Mohali
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber

Received on Sat Jan 12 2013 - 08:30:03 PST