[gmx-users] grompp error

Triguero, Luciano O ltriguero at miami.edu
Mon Apr 23 23:43:56 CEST 2007

Hi Everybody,
I have been working with the topolgy file creating a new residue type to include some metal-aminoacids ligand complex.
So far, pdb2gmx provide the topology file without errors and this file seems to contain all te interaction I added in the correspondign databases. However, the grompp gives the following error message after processing the (.top) file. 
Any sugestion where to look or solve this problem?
Thank is advance,
=======================Error message follows ===============================================
checking input for internal consistency...
calling /lib/cpp...
processing topology...
Generated 272 of the 1711 non-bonded parameter combinations
Cleaning up temporary file gromppq3nMBs
Program grompp, VERSION 3.3.1
Source code file: toppush.c, line: 1180
Fatal error:
Incorrect number of parameters - found 2, expected 3 or 6.
Dr. Luciano Triguero College of Art and Science Department of Physics and Chemistry Cox Science Building 1301 Memorial Drive, Room 146 P.O Box 249118 Coral Gables, FL 33124-0431 Cellular: 305-904-2419 Office: 305-284-3938

More information about the gromacs.org_gmx-users mailing list