| 7:04:51 AM PST - Sat, Jan 28th 2017 |
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Dear NWChem users and developers
Recently, I noticed that the new version of NWChem has a new ability to compute ab initio molecular dynamics for finite systems using gaussian basis sets.
This feature is very promising for me and I appropriate the work of Fischer and his coworkers, but unfortunately there are only a few tools for processing the output of MD.
Is there any way to analyze the trajectory data with the tools of other codes such as GROMACS?
Regards
Hossein Hajiabadi
University of Sistan and Baluchestan
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