all files necessary to produce the results in "Large-scale all-atom simulations for water permeability of human aquaglyceroporin AQP10 (authors: Roberto A Rodriguez, Ming Han, Huiyun Liang, and Liao Y Chen)"

2019-07-22T08:38:08Z (GMT) by Liao Y Chen
Simply untar the file in a linux workstation, you can ran the scripts for pmemd.cuda and namd2.13 to produce the results reported in "Large-scale all-atom simulations for water permeability of human aquaglyceroporin AQP10 (authors: Roberto A Rodriguez, Ming Han, Huiyun Liang, and Liao Y Chen)". After failing to upload the tarball multiple times, I created a dataset at https://doi.org/10.7910/DVN/2HK8HN (Harvard dataverse).

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