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cpptraj

Biomolecular simulation trajectory/data analysis.

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Contributors

8

Last push

31mo ago

Recent commits

Latest commits.

Add 'mergeres' keyword to 'change' command (#1056)
dd503b2Daniel R. Roe31mo ago
Add MPI parallelism and rotatable grids to GIST (#1055)
bc47e44Daniel R. Roe32mo ago
Add 'charge' keyword to 'keep' and 'strip' to scale total charge of remaining atoms. (#1054)
1052d48Daniel R. Roe32mo ago
Add ability to utilize and manipulate internal coordinates (#1053)
54ca723Daniel R. Roe32mo ago
Add ability to scale charges with the 'graft' command (#1052)
caa1367Daniel R. Roe33mo ago

Add extended similarity comparison functionality (#1051)

a60fbeeDaniel R. Roe33mo ago

Add change mass/charge command. (#1048)

21def2cDaniel R. Roe34mo ago

Add 'parsetiming' command (#1046)

e520de5Daniel R. Roe35mo ago

Top contributors

Builders behind this project.

multiplemonomials