[gmx-users] Residue Numbers

Amali Guruge amaligg2010 at gmail.com
Thu Jul 7 17:37:39 CEST 2016


Dear All,

I used g_mmpbsa for free energy calculations. I competed contribution of
residues to the binding energy using python script. Original residue number
is available in final_contrib_energy.dat file. But we use energyMapIn.dat
file for the graph plotting. In that file residue numbers are different, it
always start with number one. How can I plot residue number vs energy
contribution? Can anyone help me?

Thank you.


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