[gmx-users] error in Solvation

ITHAYARAJA ithayaraja at gmail.com
Sat Oct 8 09:29:55 CEST 2011

Dear Sir,

The following error was found during the ions solvation even though the
included water topology.

#include "gromos43a1.ff/spce.itp"

Program genion, VERSION 4.5.1
Source code file: gmx_genion.c, line: 284

Fatal error:
No line with moleculetype 'SOL' found the [ molecules ] section of file
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors

Ithayaraja M,
Research Scholar,
Department of Bionformatics,
Bharathiar University,
Coimbatore 641 046,
Tamil Nadu
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