[AMBER] MMGBSA result difference from whether use &decomp or not

From: Liu Denis <cndenis.gmail.com>
Date: Tue, 11 Dec 2012 16:49:06 +0800

Dear Amber Members:
     I used MMPBSA.py to calculate MMGBSA, the result difference whether I
use decomp or not. The output files were attached below. The difference
was cause by ESURF. Which result should I trust?
    Does it the same problem with:
http://archive.ambermd.org/201208/0315.html ?
Thank you!

Best Regard

                    Denis 
-- 
----GnuPG Public Key----
Key ID: 0x488C9571
Fingerprint: C292 D888 D713 4D13 57F0  C07D 16F3 10C9 488C 9571

_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber

Received on Tue Dec 11 2012 - 01:00:02 PST
Custom Search