[gmx-users] Interaction energy between specific residue in a set of residues

Collins Nganou nganoucollins at gmail.com
Wed Jul 31 22:20:01 CEST 2013


Dear all,

I am looking how  I can extract the interaction energy between  specific
residue in a set of  residues.

example:

I have DT and DA residues, I would like to plot only the energy of the DT.
I can extract the DT with the index file, But I am missing information on
how to plot the energy base on my index file where I can select only DT.

I was only looking the way to extract the c5-c6 distance of adjacent DT
without include DA.

I will be very grateful to receive any suggestions....



I wish you all a wonderful day...

Collins



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