[AMBER] Bond: Maximum coordination exceeded

From: Sarah Jane <janesa13.yahoo.com>
Date: Sun, 18 Oct 2020 18:21:45 +0000 (UTC)

Dear all,I am trying to generate parameters of a docked complex using Amber 18 AmberTools19.I am getting the following error:Bond: Maximum coordination exceeded on .R<MOL 310>.A<H01 25>      -- setting atoms pert=true overrides default limitsATOMS NOT BONDED: .R<MOL 310>.A<C 1> .R<MOL 310>.A<H01 25>PDB file is attached here with. 
Could you please suggest something on this?Thanks in advance,Sarah

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

Received on Sun Oct 18 2020 - 11:30:02 PDT
Custom Search