Difference between revisions of "Tricks in Gromacs"
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=genion doesn't recognize SOL in top file= | =genion doesn't recognize SOL in top file= | ||
| − | + | >Fatal error: | |
| − | + | >No line with moleculetype 'SOL' found the [ molecules ] section of file 'topol.top' | |
| − | + | Each type of molecule in your [ molecules ] section of your .top file must have a corresponding [ moleculetype ] section defined previously, either in the .top file or an included.itp file. See GROMACS Manual section 5.6.1 for the syntax description. Your .top file doesn't have such a definition for the indicated molecule. Check the contents of the relevant files, how you have named your molecules, and how you have tried to refer to them later. Pay attention to the status of #ifdef and / or #include statements. | |
| + | |||
| + | From [http://www.gromacs.org/Documentation/Errors#Fatal_error.3a_No_such_moleculetype_XXX Gromacs error page] | ||
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| + | Or '''you probably have a non-Unix newline character somewhere. Run the .top file through dos2unix and try again.''' | ||
| + | |||
| + | From [http://comments.gmane.org/gmane.science.biology.gromacs.user/64478 here]. | ||
Revision as of 21:55, 16 June 2014
genion doesn't recognize SOL in top file
>Fatal error: >No line with moleculetype 'SOL' found the [ molecules ] section of file 'topol.top'
Each type of molecule in your [ molecules ] section of your .top file must have a corresponding [ moleculetype ] section defined previously, either in the .top file or an included.itp file. See GROMACS Manual section 5.6.1 for the syntax description. Your .top file doesn't have such a definition for the indicated molecule. Check the contents of the relevant files, how you have named your molecules, and how you have tried to refer to them later. Pay attention to the status of #ifdef and / or #include statements.
From Gromacs error page
Or you probably have a non-Unix newline character somewhere. Run the .top file through dos2unix and try again.
From here.
