On Thu, Apr 06, 2017, Vatsal Purohit wrote:
>
> Bond: Maximum coordination exceeded on .R<LIG 755>.A<H27 54>
> -- setting atoms pert=true overrides default limits
> ATOMS NOT BONDED: .R<LIG 755>.A<C2 2> .R<LIG 755>.A<H27 54>
Check the mol2 (or other library file) for the ligand: is there a bond
to atom H27?
> When I checked the pdb file, there were no extra bonds on H27 or anywhere
> else.
The pdb file doesn't record bonds (except by CONECT records which are not
being used here.) You need to check the list of bonds in your ligand as
defined by the prep, mol2, lib file you created for it.
....dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Apr 06 2017 - 21:00:02 PDT
