[AMBER] Error in tleap for the atom type of OCT1 and OCT2 of glutamic acid at C-terminal

From: Shreeramesh <shreeramesh.gmail.com>
Date: Fri, 10 Jun 2016 19:46:49 +0530

Dear AMBER Experts,

I have the protein system which contains GLU at the C terminal with a
carboxylic acid oxygen atom type of OCT1 and OCT2 (Residue no. 349 in in
attached PDB file). It gives the following error while running tleap.

I also attached the tleap script and .pdb file (rec-1.pdb) in attachment.
Please kindly help me to solve the problem.

Error:

Checking Unit.
FATAL: Atom .R<CGLU 349>.A<OCT2 18> does not have a type.
FATAL: Atom .R<CGLU 349>.A<OCT1 17> does not have a type.

Thanks & regards

*Ramesh M*
Email: shreeramesh.gmail.com
Mobile: (91) + 9646469938 (27) + (0) 844556164


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

Received on Fri Jun 10 2016 - 07:30:02 PDT
Custom Search