man g_wham (Commandes) - g_wham VERSION 3.3_beta_20050823
NAME
g_wham VERSION 3.3_beta_20050823
SYNOPSIS
g_wham -o profile.xvg -hist histo.xvg -[no]h -nice int -[no]w -[no]xvgr -min real -max real -bins int -[no]prof -temp real -[no]flip -tol real
DESCRIPTION
This is an analysis program that implements the Weighted Histogram Analysis Method (WHAM). It is intended to analyze
-o name of the PMF output file
-hist name of the histograms output file
-min minimum coordinate to use
-max maximum coordinate to use
Note: the program will throw out any data that is outside of min - max. The program will output the true min and max after completion, so you can use these values the next time. or you can use:
-noprof only calculate min and max
-bins number of bins to use in calculation
FILES
-o profile.xvg Output xvgr/xmgr file
-hist histo.xvg Output xvgr/xmgr file
OTHER OPTIONS
-[no]h no Print help info and quit
-nice int 0 Set the nicelevel
-[no]w no View output xvg, xpm, eps and pdb files
-[no]xvgr yes Add specific codes (legends etc.) in the output xvg files for the xmgrace program
-min real 0 Minimum coordinate in profile
-max real 0 Maximum coordinate in profile
-bins int 100 Number of bins in profile
-[no]prof yes Only calculate min and max
-temp real 298 Temperature
-[no]flip no Combine halves of profile
-tol real 0.01 Tolerance