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AMBER: Difference between revisions
Added MMBSA issue in AMBER/18-10-18.11
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(Added MMBSA issue in AMBER/18-10-18.11) |
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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 | ||
'''Known issues''' | |||
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. | |||
==Running Amber 16== <!--T:2--> | ==Running Amber 16== <!--T:2--> | ||