Differences
This shows you the differences between two versions of the page.
Next revision | Previous revisionLast revisionBoth sides next revision | ||
software:namd:namd [2017-10-23 17:58] – created sraskar | software:namd:namd [2021-02-24 16:31] – [Details by Clusters] anita | ||
---|---|---|---|
Line 1: | Line 1: | ||
====== NAMD ====== | ====== NAMD ====== | ||
- | NAMD is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems. | + | [[http:// |
To determine the available versions of NAMD installed use | To determine the available versions of NAMD installed use | ||
Line 7: | Line 7: | ||
< | < | ||
$ vpkg_versions namd | $ vpkg_versions namd | ||
- | Available versions in package (* = default version): | ||
- | namd NAMD - Scalable Molecular Dynamics | ||
- | 2.8 Version 2.8 (Compiled with GCC) | ||
- | * 2.9 Version 2.9 (Compiled with Intel Compilers) | ||
</ | </ | ||
- | ===== Batch job ===== | + | =====Details by clusters===== |
+ | * [[software: | ||
+ | * [[software: | ||
+ | * [[software: | ||
- | Templates for Grid Engine queue submission scripts are available for serial or parallel batch NAMD jobs on Mills in ''/ | ||
- | |||
- | <note tip>It is a good idea to periodically check if the template ''/ |