This page is designed to serve as a repository for files that may be useful to group members.
MD Analysis scripts
denprofile_analysis.tcl TCL script for VMD to calculate density profile normal to z-axis.
USAGE: vmd -psf PSFfile -dcd DCDfile -args outfile OUTPUTFILENAME histfile HISTFILENAME [ first FIRST_FRAME ] [ last LAST_FRAME ] [freq FRAME_FREQ ]
Note that the -psf PSFfile topology description could be replaced with other filetype/filename options, e.g. -parm AMBERparmfile. Bin width and number are specified in the script, although they could be adjusted to be set at command line.
Basic and miscellaneous scripts
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.
Notes on uploading files
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