SALADCLOUD Gromacs minimization error Inquiry?

[mjsubach]

GROMACS version:
GROMACS modification: Yes/No

Hello Gromacs Forum I am using SALADCLOUD to run a gromacs simulation using a CHARMM-GUI GENERATED README and associated generated .mdp files.

Subsequent to execution, there is a default,container,error which may be beyond the scope of this forum i.e. with Backblaze.

There is additionally a FATAL ERROR and Max-Warn Option (see-attached screenshot of highlighted Log File).

There was also the below warning:

,“8/25/2026, 6:24:24 AM”,prod-gromacs-kelpie-3,1,45587f72-699d-4d6a-9946-2d8bf1f5eb17,bb6776d6-c5f7-7356-ae26-73867ea63c48,62a80bd1-97aa-4774-9760-5a52393b5535,transmembrane-protein-ligand-complex,default,container,default,“WARNING 1 [file step6.0_minimization.mdp, line 17]:”,“8/25/2026, 6:24:24 AM”

The fail occurred before the minimization output (minim.mdp file attached for inspection).

Thanks for any solution:)

step6.0_minimization.mdp (582 Bytes)

[lmullender]

The container log/error file is just obscuring a failure during grompp. If you take a close look you’ll see that grompp raised an error “Too many warnings”, and while the log is a bit hard to read I’m guessing the culprit is “Unknown left-hand ‘0define’ in parameter file”. The typo is in the 1st line of your .mdp file.

[mjsubach]

Hi lmullender thank you for your kind update/solution i.e. I just eliminated the 0 before the define within the first line of the minimization.mdp file.