Analysis Information

Input the name for this analysis.

Default number:50

Input the max number of atoms.

Queries and selections for process 1

First frame Last frame Min x Min y Min z Max x Max y Max z Atom names Atom types Molecule names



**. In order for the demo, when you press the submit button, the system will start a Gromacs simulation in the mean time to provide the data needed for this analysis.

1. This running model read data from Gromacs directly, so you need to modify the source code of Gromacs and rebuild it, so that MSanalysis can get the output data from Gromacs. Please click here for the details.

2. You can do more than one selection in a single processing, please add all the selections you want to run by the above Add selection button.

3. For the detail information of the queries above, please check the documents.

4. For the detail information of parameters in the selections above, please check the documents.

5. The lastframe parameter in selection should be less than the total number of frames in the input MS data.

This project is supported by a NIH R01 grant (R01-GM086707) & a NSF grant (CAREER, IIS-1253980)

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