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AMBER: Difference between revisions
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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: | 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 | [name@server $] module load amber/16 | ||