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
