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AMBER (view source)

Revision as of 01:41, 17 May 2021

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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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