[gmx-users] free energy

balaji nagarajan balaji_sethu at hotmail.com
Sun Jul 10 19:33:37 CEST 2011


Dear Users ! 

Is it possible to calculate the free energy for a molecule , 

at the zero step MD , when i see the mail list this question has been posted once , 

but i could not find the reply for this ! 

is there any option for this like g_energy ! 


 		 	   		  
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