Positive binding energy from MMPBSA analysis #77
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Hi, mmpbsa.in radiopt=0 is recommended which means using radii from the prmtop file for both the PB calculation and for the NPcalculationistrng=0.15, fillratio=4.0, radiopt=0 gmx_MMPBSA.log Differences (Complex - Receptor - Ligand):
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Replies: 2 comments
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Please, check this thread in our Google Group |
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Thanks Valdes, it worked! :))) |
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Please, check this thread in our Google Group