Hi, LES as developed by Elber is available in CHARMM and MOIL. Ran. Massimiliano Bonomi wrote: > Hi! > You may want to try PLUMED, which is the evolution of grometa > > http://merlino.mi.infn.it/~plumed/PLUMED/Home.html > > and can do also steered MD and umbrella sampling. > > Massimiliano > > On Jan 27, 2010, at 8:48 AM, David van der Spoel wrote: > > >> On 1/27/10 7:49 AM, [email protected] wrote: >> >>> Dear Dr. Spoel, >>> >>> I am garduate student in National Centre for Biological >>> Sciences(NCBS-TIFR), India. I am willing to do Locally Enhanced >>> Sampling(LES) in one my research project.I saw few webpages on LES using >>> GROMACS but not able to find any proper documentation/tutorial on that. >>> Would you please help me regarding the same?? >>> >>> Thanks, >>> >>> Regards, >>> >>> >>> >> Please keep questions on the list. >> Gromacs implements Flooding and Replica Exchange, both are well documented. >> In addition you can use metadynamics (similar to flooding) with gromacs if >> you install grometa. >> >> -- >> David van der Spoel, Ph.D., Professor of Biology >> Dept. of Cell & Molec. Biol., Uppsala University. >> Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. Fax: +4618511755. >> [email protected] [email protected] http://folding.bmc.uu.se >> -- >> gmx-users mailing list [email protected] >> http://lists.gromacs.org/mailman/listinfo/gmx-users >> Please search the archive at http://www.gromacs.org/search before posting! >> Please don't post (un)subscribe requests to the list. Use the www interface >> or send it to [email protected]. >> Can't post? Read http://www.gromacs.org/mailing_lists/users.php >> > >
-- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
