Dear amber users,
I find a question when doing energy decomposition using mm/gbsa. In my result, the total energy of all the residues' individual contributions to binding is less than the binding energy (GBTOT), when I check the output files generated from decomposition, I find the values of SGBSUR, BGBSUR and TGBSUR are zero. I can't explain it, could someone help me figure it out? Thanks very much in advance!
The attached files are for you to check. Thanks!
All the best,
fancy
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sun Jul 18 2010 - 00:30:03 PDT
