[AMBER] on the MD of protein-ligand

From: Brett <brettliu123.163.com>
Date: Fri, 8 Apr 2016 13:48:53 +0800 (CST)

Dear All,

If the protein complex containing several identical ligands (for example 4 ADP), can the antechamber made the ligand files (should 4 different sets of ligand files be made, for each ADP)? Can AmberTools 15 make this MD workable?

Brett

_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Apr 07 2016 - 23:00:03 PDT
Custom Search