Journal of Chemical Theory and Computation· 2013Q1
PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data
- 7,622citations
- Q1SCImago
- 2013year
Short summary
Two complementary, freely available software packages, PTRAJ and its successor CPPTRAJ, are introduced for processing and analyzing molecular dynamics trajectory data.
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SpectroscopyChemistry