[gmx-users] print inter and intra energy

balaji nagarajan balaji_sethu at hotmail.com
Sun Jun 26 11:35:16 CEST 2011


Dear users ! 

I am new to gromacs ! 

I have installed the package ! and it is working fine ! 

I tried to solvate a peptide and i was able to select the force field of my interest , 

I would like to calculate  the energy of the structure in terms of inter and intra and i want to 
print all the components of the energy both non bonded and bonded.

like , i have solvated a peptide , now could i able to print the inter and intra energy of the same with out doing 
minimization in gromacs ! 

thanks in advance ! 

regards 
balaji

 		 	   		  
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