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cluster:215 [DokuWiki]

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cluster:215 [2022/07/26 15:36]
hmeij07 [Amber]
cluster:215 [2022/11/07 13:50]
hmeij07 [Miniconda3]
Line 44: Line 44:
 iqtree --version iqtree --version
 IQ-TREE multicore version 2.0.3 for Linux 64-bit built Dec 20 2020 IQ-TREE multicore version 2.0.3 for Linux 64-bit built Dec 20 2020
 +
 +# https://userguide.mdanalysis.org/stable/installation.html
 +# calterlab, annika (failed to install with condo, used pip)
 +Successfully installed GridDataFormats-1.0.1 MDAnalysis-2.3.0 biopython-1.79 fasteners-0.18 gsd-2.6.1 joblib-1.2.0 mmtf-python-1.1.3 mrcfile-1.4.3 msgpack-1.0.4 networkx-2.8.8 threadpoolctl-3.1.0
 +
 </code> </code>
 ===== Amber ===== ===== Amber =====
Line 50: Line 55:
   * Amber22 with AmberTools22   * Amber22 with AmberTools22
   * embedded openmpi 1.4.1   * embedded openmpi 1.4.1
 +    * how to run on centos7 nodes
 +    * https://dokuwiki.wesleyan.edu/doku.php?id=cluster:214#amber22
  
   * module: amber/20   * module: amber/20
cluster/215.txt ยท Last modified: 2024/03/14 11:00 by hmeij07