Amber

Software description

Amber refers to two things: a set of molecular mechanical force fields for the simulation of biomolecules (which are in the public domain, and are used in a variety of simulation programs); and a package of molecular simulation programs which includes source code and demos.

Homepage: ambermd.org

NSC documentation

Available Modules

24-nsc1-gcccuda-12.2-g11-hpc1

Load with:

[user@system ~]$ module load Amber/24-nsc1-gcccuda-12.2-g11-hpc1

22-nsc1-gcccuda-11.4-9.3.0-bare

Load with:

[user@system ~]$ module load Amber/22-nsc1-gcccuda-11.4-9.3.0-bare

18-nsc4-gcccuda-10.2-7.3-bare

Load with:

[user@system ~]$ module load Amber/18-nsc4-gcccuda-10.2-7.3-bare

18-nsc1-intel-2017.u7-bare

Load with:

[user@system ~]$ module load Amber/18-nsc1-intel-2017.u7-bare

18-nsc1-gcccuda-10.2-7.3-bare-PLUMED

Load with:

[user@system ~]$ module load Amber/18-nsc1-gcccuda-10.2-7.3-bare-PLUMED

18-nsc1-gcccuda-10.2-7.3-bare

Load with:

[user@system ~]$ module load Amber/18-nsc1-gcccuda-10.2-7.3-bare

16-nsc1-intel-2017.u7-bare

Load with:

[user@system ~]$ module load Amber/16-nsc1-intel-2017.u7-bare

16-nsc1-gcccuda-10.2-7.3.0-bare

Load with:

[user@system ~]$ module load Amber/16-nsc1-gcccuda-10.2-7.3.0-bare