[gmx-users] using g_enemat

sadhna sadhana at che.iitb.ac.in
Wed Nov 28 12:50:07 CET 2001

hi all,
       I want to calculate VdW interactions between atoms in protein using
g_enemat option but i am confused about the -groups option.
Do I have to make an input file with different atoms in different residues
in pairs so that it would output the interaction energies between atom
pairs....could any one provide me with the sample of input file for
-groups option.


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