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How to run CHARMM on maya


CHARMM is a versatile and widely used molecular simulation program with broad application to many-particle systems. To run the CHARMM software on maya, load the module

[araim1@maya-usr1 ~]$ module load charmm/c35b3-xxl-intel

then use the command

[araim1@maya-usr1 ~]$ charmm

Detailed information about running CHARMM can be found in the documentation