[AMBER] Protein residues CA atoms treated as sidechain in binding energy decomposition?

From: ±«¾¢Ïö <m15295783798.163.com>
Date: Fri, 2 Nov 2018 22:58:31 +0800 (CST)

Dear Amber
    I'm running binding energy decomposition with MMPBSA.py. It seems that residues CA atoms were treated as sidechain instead of backbone. Is this a normal behavior, or something wrong with my inputs ( seethe attachment ), or a bug of MMPBSA.py?

Thank you in advance!
Jingxiao Bao

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

Received on Fri Nov 02 2018 - 08:00:02 PDT
Custom Search