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gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files.

copied from cf-staging / gmx_mmpbsa
Type Size Name Uploaded Downloads Labels
conda 4.5 MB | noarch/gmx_mmpbsa-1.6.3-pyhd8ed1ab_0.conda  1 year and 4 months ago 2356 main
conda 1.3 MB | noarch/gmx_mmpbsa-1.5.0.3-pyhd8ed1ab_0.tar.bz2  3 years and 7 months ago 4555 main
conda 1.3 MB | noarch/gmx_mmpbsa-1.5.0.2-pyhd8ed1ab_0.tar.bz2  3 years and 7 months ago 2410 main
conda 1.3 MB | noarch/gmx_mmpbsa-1.5.0-pyhd8ed1ab_0.tar.bz2  3 years and 7 months ago 2432 main
conda 308.2 kB | noarch/gmx_mmpbsa-1.4.3-pyhd8ed1ab_0.tar.bz2  3 years and 8 months ago 2454 main

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