Dear Amber Users
I am trying to calculate residue pairwise interaction energy between two
urea molecules. For this I am using
pairwise command likes this
pairwise U0_U0 :URA out pairwise.dat cuteelec 0.0 cutevdw 0.0 avgout
ura0_avgeout.dat eout ura0_eouttest.dat
This command is calculating both inter and intra residue atom-atom pairwise
interaction energy, While I need only inter residue pairs interaction
energy.
So how to calculate Inter residue pairs energy.
Thanks in advanced
Rahman
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Received on Fri Jun 12 2015 - 00:00:03 PDT
