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cluster:215 [2022/07/26 15:36] hmeij07 [Amber] |
cluster:215 [2022/11/07 13:50] hmeij07 [Miniconda3] |
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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 | ||
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+ | # https:// | ||
+ | # 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 | ||
+ | |||
</ | </ | ||
===== Amber ===== | ===== Amber ===== | ||
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* Amber22 with AmberTools22 | * Amber22 with AmberTools22 | ||
* embedded openmpi 1.4.1 | * embedded openmpi 1.4.1 | ||
+ | * how to run on centos7 nodes | ||
+ | * https:// | ||
* module: amber/20 | * module: amber/20 |