Hello Gromacs Developers/ Users
Which tool you use to calculate binding free energy for the trajectory file
obtained from gromacs ?I have used g_mmpbsa (
https://rashmikumari.github.io/g_mmpbsa), but at many instances it gives
either positive or high negative binding energy which makes difficult any
sort of comparison. Solute dielectric constant is said to be a variable
which is responsible for this error. Suggestions/solutions please.
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Thanks & Regards
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*NAVNEET KUMAR*
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