For some of the cases, all the .tpr files contain the same information except the coupling temperature. Isn't it elegant to add one more option for the specification of a list of temperatures for REMD simulation and incorporate all the information into a unique .tpr file?
2008/12/2 Yang Ye <[EMAIL PROTECTED]> > each tpr contains only one temperature. > > On Tue, Dec 2, 2008 at 1:29 PM, Lee Soin <[EMAIL PROTECTED]> wrote: > > Hi, everyone! > > There's something that I'm not clear about REMD in gromacs. Since all the > > inputs are unified into a unique .tpr file, why should the REMD options > > -multi and -replex be sprcified as mdrun arguments instead of being > > integrated into the same .tpr file? > > > > -- > > Sun Li > > Department of Physics > > Nanjing University, China > > > > _______________________________________________ > > gmx-users mailing list [email protected] > > 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 > > > > > > -- > Regards, > Yang Ye > _______________________________________________ > gmx-users mailing list [email protected] > 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 > -- Sun Li Department of Physics Nanjing University, China
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