I don't understand your question. If you got the temperature distribution, what else do you need?
2013/4/23 bharat gupta <bharat.85.m...@gmail.com> > I have got the temperature distribution from the same link, but how to > select evenly spaced temperatures for 56 replicas, I need to know that > > > On Tue, Apr 23, 2013 at 6:21 PM, massimo sandal <deviceran...@gmail.com > >wrote: > > > Look here: http://folding.bmc.uu.se/remd/ > > > > > > > > 2013/4/23 bharat gupta <bharat.85.m...@gmail.com> > > > > > Dear gmx users, > > > > > > I am planning to run REMD for a peptide (406 atoms )+ solvent system > > > (27639). The temperature range I selected is from 300 to 500. I want to > > > select appropriate temp. for 56 replicas. I randomly chose some temp > > > distribution and the exchange probabilities was 0.0. I know that we can > > use > > > the formula Ti=T0*ek*i, but what is the value for i and K here ?? > > > > > > -------- > > > BHARAT > > > -- > > > gmx-users mailing list gmx-users@gromacs.org > > > http://lists.gromacs.org/mailman/listinfo/gmx-users > > > * Please search the archive at > > > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > > > * Please don't post (un)subscribe requests to the list. Use the > > > www interface or send it to gmx-users-requ...@gromacs.org. > > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > > > > -- > > gmx-users mailing list gmx-users@gromacs.org > > http://lists.gromacs.org/mailman/listinfo/gmx-users > > * Please search the archive at > > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > > * Please don't post (un)subscribe requests to the list. Use the > > www interface or send it to gmx-users-requ...@gromacs.org. > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > > > > > -- > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > * Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
