[gmx-users] Ensemble averaging between two proteins in the same box.

[Arthur Roberts]

Hi, all,

I am trying to do distance restraints under two different conditions  
of the protein.  I have both of these proteins in the same box.   
Because the experimentally determined distance restraints are from the  
same signal, there are distance restraints between similar atoms in  
both structures.  In other words, they have the same index.  However,  
Gromacs says that it does not have this capability, yet.  Is there a  
work around?  Thank you in advance.

Much appreciated,
Art

Art Roberts
3950 Mahaila Ave G18
San Diego, CA 92122
cell: 206-850-7468
email: aroberts99163 at yahoo.com
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