[gmx-users] how to find conformational free energy?

ajani haresh 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.
thanks...

-- 
Ajani Haresh
NIPER-IICB
KOLKATA
9836182127



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