CPPTRAJ is a program designed to process and analyze molecular dynamics trajectories and relevant data sets derived from their analysis.
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What is cpptraj?
How to calculate RMSD in Amber?
A Python front-end of [cpptraj program] (https://github.com/Amber-MD/cpptraj) (a data analysis package for biomolecular simulation). Website: http://amber ...
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Loading a Topology and Trajectory. To start CPPTRAJ, type 'cpptraj' from the command line: [user@computer ~]$ cpptraj CPPTRAJ: Trajectory Analysis.
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Jan 10, 2022 · > > However, on my local machine I also get a number 11 at the end of the segmentation fault error line like so: "Segmentation Fault: 11", if ...
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CPPTRAJ is the main program in Amber for processing coordinate trajectories and data files. CPPTRAJ has been developed to be almost completely backwards- ...
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Welcome¶ ; pytraj is a Python front-end of the popular ; cpptraj package. Its aim is to expose ; cpptraj 's funtions to Python's ecosystem. Enjoy.
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Developer guide for pytraj¶ · General philosophy · Our github repo · Python style guide · Python 2 and 3 compat · conda build to upload to anaconda server · Install ...
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A Python front-end of [cpptraj program] (https://github.com/Amber-MD/cpptraj) (a data analysis package for biomolecular simulation). Website: http://amber-md.
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