[gmx-users] solvent_protein interaction energy

[balaji nagarajan]

Thanks for the reply ! 

I have tried building the topology with  generating the index file 

make_ndx  -f  *  

it gave options i have selected the protein and the solvent 

then i gave minimization 

in the minimization file i have included 

energygrps = Protein SOL , 


but the energy file have the same when i removed and inserted the above flag ! 

if any one can explain me in detail it will be helpfull 

thanks in advance ! 
 		 	   		  
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