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The answers are in the previous discussions. Please forget this message. Apologizes. |
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Check the CHARMMff Support in the examples |
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Thanks a lot! |
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Dear friends,
I would like to run gmx_MMPBSA on trajectories obtained with Charmm36 force field. Could you please tell me how to set the mmpbsa.in file for gb et pb calculations, please ?
Thank you in advance for your help.
Bernard
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