Dear Sir,
I am trying to create topology and co-ordinates files for my
ligand. After loading the ligand in tleap usong *loadmol2 *command, I have
used *check* command. This gives me the following error,
AMBER General Force Field for organic molecules (Version 1.7, Nov 2013)
> LIG=loadmol2 lig4.mol2
Loading Mol2 file: ./lig4.mol2
Reading MOLECULE named complex.pdb
> check LIG
Checking 'LIG'....
Warning: Close contact of 1.471324 angstroms between .R<LIG 1>.A<H 37> and
.R<LIG 1>.A<H 55>
Checking parameters for unit 'LIG'.
Checking for bond parameters.
Checking for angle parameters.
*Could not find angle parameter: ss - cd - c*
There are missing parameters.
check: Warnings: 1
Unit is OK.
Kindly help me in this regard.
*With Best Regards*
*S. Manjula*
*Research Scholar*
*Laboratory of Biocrystallography and Computational Molecular Biology*
*Department of Physics*
*Periyar University*
*Salem-11*
*Tamilnadu*
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Feb 20 2017 - 23:00:02 PST
