[gmx-users] question regarding g_sham
duartenl at yahoo.com.br
Fri Jan 19 16:13:05 CET 2007
Hi to All,
I want to use the g_sham command to have the entropy and enthalpy plots of a simulation of a protein in water.
I have tried to use the EPot, EKin, and Efree, among others, as input in the graph.xvg file, toghether with the -lsh and -lss options, however the enthalpy.xpm and the entropy.xpm files are not created.
Is my input correct? what kind of graph.xvg should I use for input to get the correct output. I am using version 3.3.1.
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