Hello all,
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.
Could you advise me on what might be causing this problem?
Regards,
Vatsal
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Received on Thu Apr 06 2017 - 17:30:03 PDT
