Published April 30, 2020 | Version v1

Mutated EN2(143-259) simulation with Amber ff03ws

Description

MD simulation of a mutated protein EN2(143-259)  with Amber ff03ws and 40 mM NaCl as the solvent.

The mutated sequence differs from the original sequence by amino acids serine (148, 150, 153, 154, 155, 156) and aspartic acid (152,154) changed to threonine and glutamate respectively.

The trajectory files contain the total 1080 ns simulation. The trajectory file without solvent has saving frequency 10 ps. The trajectory files with solvent have a saving frequency 100ps.

Force field parameters for proteins and counter ions are downloaded from https://github.com/bestlab/force_fields, for NaCl from https://bitbucket.org/hseara/ions

 

Files

Files (9.5 GB)

Name Size
md5:97d5ac301398755685cd89f419ffe685
1.8 kB Download
md5:29cd685f05ed06bd7e72dc84a206097a
2.4 GB Download
md5:8744368cf9444a6a8048107fda0dfe9a
799.6 MB Download
md5:f5825486cf1e8f7a717ac1437a20c5ea
2.4 GB Download
md5:a3cc51732626872bcf5b58674a446698
2.4 GB Download
md5:ef52e1d39c4d2a38ce8401a5cd14333f
1.4 GB Download
md5:1bc7d8ad66cfba2d920f96e3e0cb6dcf
2.4 MB Download
md5:4da0554d21d63b50e89a570c83a43c1e
132.6 kB Download
md5:babf437bee1839013056eb4b8d1fd8b7
7.9 MB Download
md5:d33347315d33307cdb9f9c8031a61ef0
15.9 MB Download
md5:cbe4845fe8c5774065ddbb78a7d6c959
564.4 kB Download