error of gmx_mpbsa

[Justice Mallen]

Hi everyone can someone help i am hvaing this error when i run gmx_mmpbsa

[Mario Sergio Valdes]

Please, use the -cp topol.top option. I your case:

gmx_MMPBSA -O -i mmpbsa.in -cs full_md.tpr -ci index.ndx -cg 1 13 -ct center_full_md.xtc -cp topol.top  -o FINAL_RESULTS_MMPBSA.dat -eo FINAL_RESULTS_MMPBSA.csv

[Justice Mallen]

i have tried and its giving me this error

Kind Regards

Justice J Mallen

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[Mario Sergio Valdes]

The forcefield folder must be accessible in the gromacs datapath or in the folder where you have the topology. If this ff you are using is a modified version, ensure you have the folder for it in the same directory as the topology. If it is from the internal version in gromacs, the data path is not recognized, so the easiest solution would be to copy it to the directory where the topology is.

[Justice Mallen]

Hi

i am having another error again kindly assist. please find the attached picture below and the gmx_mmpbsa.log file

[marioe911116]

Please check https://valdes-tresanco-ms.github.io/gmx_MMPBSA/dev/Q%26A/calculations/#possible-solutions

[Justice Mallen]

i managed to fix the issue