software:namd:namd

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software:namd:namd [2018-03-01 16:41] – [Batch job] sraskarsoftware:namd:namd [2021-02-24 16:31] – [Details by Clusters] anita
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 ====== NAMD ====== ====== NAMD ======
  
-NAMD is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems. +[[http://www.ks.uiuc.edu/Research/namd/|NAMD]] (NAnoscale Molecular Dynamics) is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems. 
  
 To determine the available versions of NAMD installed use To determine the available versions of NAMD installed use
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 </code> </code>
  
-===== Batch job =====+=====Details by clusters===== 
 +  * [[software:namd:caviness | Caviness]] 
 +  * [[software:namd:farber | Farber]] 
 +  * [[software:namd:mills| Mills]]
  
-Templates for Grid Engine queue submission scripts are available for serial or parallel batch NAMD jobs on ''Mills'' & ''Farber'' in ''/opt/templates/gridengine/namd'' Copy and edit the template based on your job by following the usage described in the ''named-serial.qs'' or ''named-parallel.qs'', respectively. 
- 
-<note tip>It is a good idea to periodically check if the template ''/opt/templates/gridengine/namd'' has changed as we learn more about what works well on a particular cluster.</note> 
  • software/namd/namd.txt
  • Last modified: 2021-02-24 16:38
  • by anita