Hi all,
I am trying to do pairwise per-residue decomposition of MM-GBSA binding free
energy for a protein ligand system. My calculation is crashing (the computer
stop responding) on the "=>> Calc delta from raw data", probably due to the
memory issue. I will be very thankful if some one can tell me a fix of this
problem.
Manoj
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Oct 28 2009 - 22:00:02 PDT
