calcoloscientifico:softwareapplicativonew1:chem
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| Name | Version | Installation | Module | note |
|---|---|---|---|---|
| APPLICATIONS / TOOLS | ||||
| Crystal14 | 1.04 | /hpc/share | crystal14/1.0.4 (todo) | |
| QE | 5.4.0 | rpm | no | http://www.quantum-espresso.org/ |
| Gromacs | 4.5.7, 5.1.4 | /hpc/share | no | http://www.gromacs.org/ |
| Gaussian | 09, 16 | module | http://gaussian.com/ | |
| gv | 6.1.1 | module | Gaussview 6 | |
| Amber | 11 | /hpc/share | http://ambermd.org/ | |
| Schrodinger | 2017 | /hpc/share | ||
| AutoDock | 4.2.6 | /hpc/share | ||
| qiime | virtualenv | http://qiime.org/ | ||
| flash | module | |||
| prinseq | module | |||
| espresso md | virtualenv | http://espressomd.org/wordpress/ | ||
| namd | module | http://www.ks.uiuc.edu/Research/namd/ | ||
| plumed | module | http://www.plumed.org/ | ||
| mpi4py | rpm ohpc | |||
| orca | 4.1.1 | /hpc/share | moduledeps/gnu7-openmpi3/orca | https://orcaforum.kofo.mpg.de |
| ccdc | 2018 | module | moduledeps/gnu/ccdc | https://www.ccdc.cam.ac.uk/ |
| flap | 2.2.1 | module | modulefiles/flap | http://www.moldiscovery.com/software/flap/ |
| biki | 1.3.5 | module | moduledeps/gnu/biki | http://www.bikitech.com/ |
calcoloscientifico/softwareapplicativonew1/chem.1566380618.txt.gz · Ultima modifica: 21/08/2019 11:43 da fausto.pagani