[gmx-users] final_min_step energy
balaji_sethu at hotmail.com
Mon Jul 4 07:40:59 CEST 2011
Dear Users !
I have a problem in taking the inter and intra molecular interaction energy from a pdb , which is being minimized by minim.mdp !
when i use the
g_energy -f *.edr it gives the list of all possible interaction energy as average value , but i want it only for the minimized file
how one can fetch that from the *.edr file
thanks in advance
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