This page is designed to serve as a repository for files that may be useful to group members. For information on uploading files, see notes below.
MD Analysis scripts
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Basic analysis for NAMD trajectories
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basic_analysis.sh A simple script for analyzing NAMD output files and trajectories.
Sample scripts for basic tasks in CHARMM
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autocorr.awk AWK script to calculate autocorrelation of a time series.
histogram_dec.awk AWK script to create histogram.
histogram_discrete.awk AWK script to create histogram of discrete values (e.g. a variable taking integral values).
bootstrap_mean.awk AWK script to re-sample mean values in the bootstrap method.
runavg.awk AWK script to calculate running average of energy from NAMD output. Requires setting variables at command line.
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Notes on uploading files
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