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 _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
