About
Contact
dG2Cp
Name
dG2Cp - compute heat capacity based on free energy
Synopsis
dG2Cp [OPTION]... FILE
Description
dG2Cp computes (actually estimates) the heat capacity corresponding to a given free energy. The free energy is read from the FILE, and the heat capacity is computed as -T * d^2G / dT^2 - that is, the negation of the temperature (in Kelvins) times the second derivative of free energy with respect to temeprature. The computed heat capacity at each temperature is written to prefix.Cp and the observed maximum value is written to prefix.TmCp. prefix is FILE with a trailing .dG removed, if applicable.
Typically, the .dG file used as input should come from ensemble-dg or ensemble-dg-same.
Options
- -p, --points=number
- use number points on either side of each point when performing numerical differentiation. Default is 1.
Table of Contents
UNAFold Man pages
- concentration / concentration-same
- concentrations.pl / concentrations-same.pl
- ct2rnaml
- ct-energy
- ct-energy-det.pl
- ct-ext
- ct-prob
- ct-uniq
- dG2Cp
- dG2dH / dG2dS
- ensemble-dg / ensemble-dg-same
- ensemble-ext / ensemble-ext-same
- h-num.pl
- hybrid
- hybrid2.pl
- hybrid-2s.pl
- hybrid-min
- hybrid-plot / hybrid-plot-ng
- hybrid-select.pl
- hybrid-ss / hybrid-ss-simple / hybrid-ss-noml
- hybrid-ss-2s.pl
- hybrid-ss-min
- ITC-plot.pl
- melt.pl
- plot2ann.pl
- ss-count.pl
- UNAFold.pl
- vantHoff-plot.pl