Difference between revisions of "Molecular Dynamics Simulation of ARSA"
From Bioinformatikpedia
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=== LRZ-runs with gromacs === |
=== LRZ-runs with gromacs === |
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| + | To run gromacs on the LRZ-cluster we used the following config-file: (TODO: include working config-file) |
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[[Category : Metachromatic_Leukodystrophy]] |
[[Category : Metachromatic_Leukodystrophy]] |
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Revision as of 16:57, 14 August 2011
Preparation
To prepare the pdb-structure for th molecular dynamics simulation we did all steps mentioned in the task-description and also did 5 rounds of minimization with minimise.
local preparation with gromacs
To prepare the structure for the long minimization-runs we wrote two scripts. (TODO: include scripts from virtualBox)
LRZ-runs with gromacs
To run gromacs on the LRZ-cluster we used the following config-file: (TODO: include working config-file)
