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AMBER: Difference between revisions
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1. MMPBSA.py programs from amber/18-10-18.11 and amber/18.14-18.17 modules can not perform PB calculations. Use more recent amber/20 modules for PB calculations. | 1. MMPBSA.py programs from amber/18-10-18.11 and amber/18.14-18.17 modules can not perform PB calculations. Use more recent amber/20 modules for PB calculations. | ||
2. Module amber/20.12-20.15 does not have MMPBSA.py.MPI executable | 2. Module amber/20.12-20.15 does not have MMPBSA.py.MPI executable | ||