Topol doesnt exist

User discussions
1

GROMACS version: 2023.1
GROMACS modification: No
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Hello, I try protein with ligand simulation. Then I tried to run NVT but I got error like this
Error in user input:
Invalid input values
In option s
Required option was not provided, and the default file ‘topol’ does not
exist or is not accessible.
The following extensions were tried to complete the file name:
.tpr

my topol.top already available

2

This means mdrun cannot find the file you indicated as input to -s, therefore it falls back to looking for the default input file name (topol.tpr) and does not find it, either. So the command aborts.

3

how we can solve this issue?