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Pepper
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Nov 21, 2023, 9:20:08 PM
11/21/23
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Hi,
I would like to ask how is it possible that I can used my OPLSAA MD from gromacs in gmx_mmpbsa when mmpbsa usually use amberff.
gmx_MMPBSA
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Nov 21, 2023, 10:24:28 PM
11/21/23
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Yes, it is possible although it is recommended to use PB for calculations... More info here:
https://valdes-tresanco-ms.github.io/gmx_MMPBSA/dev/examples/OPLS/protein_protein/
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