Essential Dynamics = extracts the correlated motions of proteins to understand the motions that are most fundamental to the activity of the protein (http://www.gromacs.org/Documentation/How-tos/Essential_Dynamics) Accelerated MD = enhanced-sampling method that improves the conformational space sampling by reducing energy barriers separating different states of a system (http://www.ks.uiuc.edu/Research/namd/2.9/ug/node63.html)
Found via a quick search. >From those quick definitions, they do two different things. Catch ya, Dr. Dallas Warren Drug Delivery, Disposition and Dynamics Monash Institute of Pharmaceutical Sciences, Monash University 381 Royal Parade, Parkville VIC 3052 dallas.war...@monash.edu --------------------------------- When the only tool you own is a hammer, every problem begins to resemble a nail. On 17 October 2017 at 21:16, Kingsley Theras Primus Dass . <105726...@gms.tcu.edu.tw> wrote: > Hi all, > I have a very basic question about essential dynamics. I want to know > whether essential dynamics function is similar to Accelerated MD ? Or > essential dynamics is different from Accelerated MD ? > > Thanks in advance. > > Kingsleg Theras > -- > 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. -- 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.
