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AMBER: Difference between revisions
Undo revision 100232 by Jemmyhu (talk)
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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. | ||
==Loading Amber 16== <!--T:2--> | |||
Amber 16 is currently installed only on [[Graham]] due to license restrictions. Load it using the [[Using modules|module]] command: | |||
[name@server $] module load amber/16 | |||
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You can modify the script to fit your job's requirements for compute resources. See [[Running jobs]]. | You can modify the script to fit your job's requirements for compute resources. See [[Running jobs]]. | ||
===Examples=== <!--T:7--> | |||
Sample *.sh and input files can be found on Graham under | |||
/home/jemmyhu/tests/test_Amber/ | |||
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