Dear Gromacs Users I have simulated a protein in presence of GdmCl (1519 Gdm and 1519 Cl) and Urea (urea 1843) with gromos54a7 ff for 100ns each.
The Average Coulomb-14 Energies of protein in water, urea and GdmCl are: 3.42E+04, 3.41E+04 and -3.16E+06 respectively. The value of Coulomb-14 in case of protein in presence of water and protein in presence of urea are almost identical whereas it tends to be in different in case of GdmCl. And inspite of the fact that both urea and GdmCl have negative potential. How do we justify this? Thank You Regards Zaved Hazarika PhD Scholar Dept.of Molecular Biology and Biotechnology Tezpur University India * * * D I S C L A I M E R * * * This e-mail may contain privileged information and is intended solely for the individual named. If you are not the named addressee you should not disseminate, distribute or copy this e-mail. Please notify the sender immediately by e-mail if you have received this e-mail in error and destroy it from your system. Though considerable effort has been made to deliver error free e-mail messages but it can not be guaranteed to be secure or error-free as information could be intercepted, corrupted, lost, destroyed, delayed, or may contain viruses. The recipient must verify the integrity of this e-mail message. -- 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.
