Fatal error: Topology include file "/usr/local/gromacs/share/gromacs/top/oplsaa.ff/forcefield.itp" n

User discussions
1

GROMACS version: 2021
GROMACS modification:No
I receive this error:
Fatal error:
Topology include file
“/usr/local/gromacs/share/gromacs/top/oplsaa.ff/forcefield.itp” not found

is there something wrong with my gromacs like missing a force field file?
I would appreciate your help.

2

Normally one does not spell out the entire path for the force field, $GMXLIB is an encoded environment variable, so only "oplsaa.ff/forcefield.itp" is necessary in the topology. But the error itself means you did not install GROMACS in /usr/local/gromacs so you should probably determine where your installation actually is.

3

I already ran an other gromacs file and it worked. Plus, it is a computer cluster that lots of users are working with it. I think it is installed perfectly. Any other reason for this issue?