Hi Mark, Thanks for your time. The page you directed me to go tell me the following information: -------------------------------------- Note that Langevin dynamics is not a magic option that allows the solvent to be replaced by a vacuum. Since it adds friction and noise it only influences the dynamics, not distributions. A high friction value may mimick the friction of water, however it does nothing to the potentials. Using Langevin dynamics without water is just a vacuum simulation. --------------------------------------- 1) what is the definition of the "potential" in it? 2) never heard langevin dynamics used water, can you give me a literature using water in langevin dynamics simulation? 3) why it says the friction in langevin dynamics does nothing to the "potential"?
Sorry for my stupid questions. Anyway I just want to learn more. Thanks and happy new year Regards, Yin Jian -----Original Message----- From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] On Behalf Of Mark Abraham Sent: Monday, December 24, 2007 6:21 PM To: Discussion list for GROMACS users Subject: Re: [gmx-users] Brownian dynamics Yin Jian wrote: > Hi Berk, > I am looking for a way to be able to run MD faster without > Explicit solvent component. Brownian dynamics (I mean langevin > Dynamics) is way out I think. But I am not sure the package > Implemented in Gromacs is a good one or not yet. Since I have > Seen no one using it in the literature yet, right? http://wiki.gromacs.org/index.php/Langevin_Dynamics Mark _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.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 gmx-users@gromacs.org http://www.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
