Hi Luciano,
Look in the topology file where your metal complex is defined (under
each [ ] section, but this seems to me to be a dihedral). You've not
given enough parameters for one of the bonded definitions.
Furthermore, it is likely that the error is in the .rtp entry,
assuming you generated one. Maybe you gave a gb_* definition where it
should have been a gd_*?
Cheers,
Tsjerk
On 4/23/07, Triguero, Luciano O <[EMAIL PROTECTED]> wrote:
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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--
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
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