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AMBER: Difference between revisions
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Marked this version for translation
(Added MMBSA issue in AMBER/18-10-18.11) |
(Marked this version for translation) |
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module load gcc/5.4.0 cuda/9.0.176 openmpi/2.1.1 amber/18.10-18.11 scipy-stack/2019a | module load gcc/5.4.0 cuda/9.0.176 openmpi/2.1.1 amber/18.10-18.11 scipy-stack/2019a | ||
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'''Known issues''' | '''Known issues''' | ||
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MMPBSA program in AMBER/18-10-18.11 module has an issue with PB calculations. Use AMBER/18 or AMBER/16 modules for MMPBSA calculations. | MMPBSA program in AMBER/18-10-18.11 module has an issue with PB calculations. Use AMBER/18 or AMBER/16 modules for MMPBSA calculations. | ||