[AMBER] please help me

From: pancham lal gupta <panchamlalgupta.gmail.com>
Date: Tue, 25 Oct 2011 08:38:06 +0530

Hi.....

i have done ligand replacement,ligand may be small or large in comparison to
first one.....
when i have done energy minimisation,it gives energy NaN due to clashes of
protein with
ligand,

How to remove clashes from structures? so that i can do energy
minimisation.
Please help me......

pancham lal
IIT DELHI
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Oct 24 2011 - 20:30:03 PDT
Custom Search