[gmx-users] how to find conformational free energy?
ajaniharesh at gmail.com
Fri Apr 3 10:48:27 CEST 2009
can anyone tell me how to find the conformational free energy?
i have the one peptide which have 12 amino residue.
i was run the simulation. and found the g_energy from trajectory file.
i have potential energy.
now i want to find the conformational free energy and entropy and enthalpy.
any one know plz help me.
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