tlooto
Sign up
Computer ScienceChemistryMedicine

PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data.

D. Roe, T. Cheatham

2013.6.25Journal of Chemical Theory and Computation

DOI: 10.1021/ct400341p

tlooto Summary

PTRAJ and its successor CPPTRAJ are described, two complementary, portable, and freely available computer programs for the analysis and processing of time series of three-dimensional atomic positions and the data therein derived.

Abstract

Abstract is not available.

Citation format

ROE, D.; CHEATHAM, T. PTRAJ and CPPTRAJ: Software for processing and analysis of molecular dynamics trajectory data. Journal of Chemical Theory and Computation, 2013, 9 7: 3084–95.