[gmx-users] g_enemat problem

[Samuel Flores]

Hi, 

 

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.

 

Sam  

 

Samuel Flores

Graduate Student

Gerstein Lab 

Bass 437

Office: 203.432.5405

Home: 203.752.2068

 

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