Hi Mark, Thank for your suggestions. I do not understand why you seems so impatient? But I do remember there is an old saying: "there is no stupid question in the world, but there are stupid answers everywhere."
Now I am confused how to commute with you? Is there somebody Else who understand me a little better? Regards Yin Jian -----Original Message----- From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] On Behalf Of Mark Abraham Sent: Wednesday, December 26, 2007 8:33 PM To: Discussion list for GROMACS users Subject: Re: [gmx-users] Brownian dynamics Yin Jian wrote: > 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? The same as in MD? Check out some reference material. > 2) never heard langevin dynamics used water, can you give me a > literature > using water in langevin dynamics simulation? Nobody is suggesting this is a good idea. > 3) why it says the friction in langevin dynamics does nothing to the > "potential"? Check out the reference material. > Sorry for my stupid questions. Anyway I just want to learn more. Teaching you things isn't really our job. You'll get a better response from useful people if you've tried to teach yourself and can ask focussed questions. 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
