Thanks for the answering I have doubts , because in the gromacs manual , they have mentioned that , the application of Essential dynamics is also to enhance the sampling with respect to usual MD. So, i want to make sure whether my understanding about ED is correct or not ?
On Oct 19, 2017 5:46 AM, "Dallas Warren" <dallas.war...@monash.edu> wrote: > 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. > -- 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.