Topology include file "...forcefield.itp" not found

GROMACS version: 2020
GROMACS modification: No
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Hi,

I am getting this fatal error whenever I try to generate my tpr file to run energy minimization.
From my understanding, it’s telling me it can’t read/find the forcefield directory? So I tried moving it to a different folder but I still can’t get past it.

Appreciate any suggestions/advice.

Thank you.
Cynthia

for oplssa, the forcefield file is usually in the oplsaa folder in the shared library. see the below the format for calling in the .top file.

#include “oplsaa.ff/forcefield.itp”

PS: if you generate your .top file using gmx pdb2gmx command, that shouldnt be a problem

Please provide the exact error message you received.

The message reads:

Fatal error:
Topology include file “/home/cynthia/Documents/Graphene sheet/gromos54a7.ff/forcefield.itp”

My working directory is ‘Graphene sheet’ where the ‘gromos54a7.ff’ forcefield folder is located which contains the ‘forcefield.itp’ file.

My GROMACS is located in /usr/bin/gmx…could this be why? Does the forcefield have to read from the gmx directory?

The message reads:

Fatal error:
Topology include file “/home/cynthia/Documents/Graphene sheet/gromos54a7.ff/forcefield.itp”

My working directory is ‘Graphene sheet’ where the ‘gromos54a7.ff’ forcefield folder is located which contains the ‘forcefield.itp’ file.

My GROMACS is located in /usr/bin/gmx…could this be why? Does the forcefield have to read from the gmx directory?

I suspect there is more to the error message. A file location is not a fatal error. Please provide the whole error. It could be there is a problem reading the file because you’re using spaces in your directory name, but that shouldn’t be an issue, I don’t think.

No, force field directories can be anywhere.