[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,
 
Luciano
 
=======================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



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