AmberTools
 Legacy documentation
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- Description
- AmberTools consists of several independently developed packages that work well by themselves, and with Amber itself. The suite can also be used to carry out complete molecular dynamics simulations (using NAB or mdgx), with either explicit water or generalized Born solvent models. .
- Modulefile
ambertools- Documentation
- AmberTools homepage
- Usage
- Here is an example of a submission script:
#$ -cwd #$ -l h_rt=01:00:00 module load intel ambertools reduce -build 1ubq.pdb