Hi,
Please send the pdb file as an attachment and describe in detail
the workflow used to generate it.
scott
On Thu, Apr 06, 2017 at 08:11:45PM -0400, Vatsal Purohit wrote:
>
> I am trying to use tleap to add ions and a tip3p solvent box to my
> protein-ligand pdb file using the ff03 and gaff force fields. However, when
> I try to load my protein-ligand pdb file, I get the following error.
>
> 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>
> !FATAL ERROR----------------------------------------
> !FATAL: In file [atom.c], line 445
> !FATAL: Message: bondAtomProblem found
> !
> !ABORTING.
>
> When I checked the pdb file, there were no extra bonds on H27 or anywhere
> else.
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Received on Thu Apr 06 2017 - 19:30:02 PDT
