gmx_MMPBSA per residue energy decomposition plot

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vivekananda saha

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Nov 20, 2025, 5:50:20 AMNov 20
to gmx_MMPBSA
Hello, 
I am trying to see my per-residue energy decomposition plot which I had calculate by gmx_mmpbsa before  but when I use this following command, It just show my MMGBSA calculated result and It does not appear per-residue energy decomposition plot. 

gmx_MMPBSA_ana -f _GMXMMPBSA_info

I would be so thankful if you could help me to solve my problem.

Best regards

Vivekananda Saha

marioe911116

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Dec 6, 2025, 2:42:34 PMDec 6
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Did you perform the decomposition calculation by including the corresponding &namelist in the mmpbsa.in file?

vivekananda saha

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Dec 6, 2025, 2:47:29 PMDec 6
to marioe911116, gmx_MMPBSA
Yes, when I made mmpbsa.in file for Gb Pb and decomp and edit the term idecomp=2 in the .in file. It gave me the decomposition.csv file.
Is this process which I followed correct??

Regards,
Vivekananda Saha
UGC-SRF, Cooch Behar Panchanan Barma University
Cooch Behar, Vivekananda Street
736101, West Bengal, India
8116626612


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