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mmpbsa error: Could not find gromos54a7_atb.ff/forcefield.itp
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NEHA KOONERI
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Jan 8, 2024, 1:09:11 AM
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I used
Installation - gmx_MMPBSA Documentation (valdes-tresanco-ms.github.io)
this site and installed version 1.6.2. I have used the Gromacs 2022.3 version for my MD.
But on using the command
gmx_MMPBSA -O -i
mmpbsa.in
-cs md.tpr -ct md.xtc -ci index.ndx -cg 1 13 -cp topol.top -o FINAL_RESULTS_MMPBSA.dat -eo FINAL_RESULTS_MMPBSA.csv
I got the error as :
Could not find gromos54a7_atb.ff/forcefield.itp. I am just a beginner in gromacs can you please help me in solving this problem.
gmx_MMPBSA
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Jan 8, 2024, 5:55:54 AM
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Currently, gmx_MMPBSA doesn't support GROMOS force field...
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