[gmx-users] Gibbs free energy
Dear Prof. Spoel Thank you from your reply. Is good DoSPT code to obtain entropy for me?May I know your mean about pull out one lipid, Please? Best RegardsDina -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
[gmx-users] Gibbs free energy
Dear Gromacs users I have one question about obtaining of Gibbs free energy. I have one micellization system in NPT ensamble. Can I obtain the Gibbs free energy by G=H-TS? When H is obtained from g_energy and selection of enthalpy and S is obtained from g_covar+g_anaeig.May I ask you to guide me, Please? Dina -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
[gmx-users] Gibbs free energy
Dear Gromacs users I have one question about obtaining of Gibbs free energy. I have one micellization system in NPT ensamble. Can I obtain the Gibbs free energy by G=H-TS? When H is obtained from g_energy and selection of enthalpy and S is obtained from g_covar+g_anaeig.May I ask you to guide me, Please? Dina -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
