[gmx-users] g_enemat problem
samuel.flores at yale.edu
Fri Mar 18 20:30:27 CET 2005
I have a protein in a water box, and would like to know separately the
potential energies of the protein, of the water, and of the protein-water
interaction. However, when I try to do this with g_enemat, I get a
segmentation fault. Some web browsing revealed that this is a common
problem, seemingly an unsolved one. Is there a solution to this? Can
g_energy be used somehow to get this information?
Any help is much appreciated.
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