You used the incorrect forcefield. We have found that GROMOS53a6 and associated forcefields reproduce poorly the interactions between PEG and water. We have made improvements on that, and will be publishing something soon. Catch ya,
Dr. Dallas Warren Drug Delivery, Disposition and Dynamics Monash Institute of Pharmaceutical Sciences, Monash University 381 Royal Parade, Parkville VIC 3052 [email protected] --------------------------------- When the only tool you own is a hammer, every problem begins to resemble a nail. On 13 November 2017 at 09:51, Amali Guruge <[email protected]> wrote: > Dear Gromacs users, > > I tried to simulate a system which contains PEG and water. According to the > phase diagram of PEG, it should form micells after the simulation. However, > after the simulation PEG doesn't form micells. What could be the reason for > this. Can anyone help me. > > Thank you. > -- > 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 [email protected]. -- 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 [email protected].
