On Wed, Mar 13, 2013 at 11:24 AM, Nikunj Maheshwari < nixcrazyfor...@gmail.com> wrote:
> Dear all. > > We are trying to run REMD on two proteins : 292 and 44 aa residues using > GROMACS 4.6. > We are unable to obtain the temperature spacing using REMD temperature > generator (http://folding.bmc.uu.se/remd/) as it is giving myriad > temperature ranges (in the order of 150 for 250-550K range) > Sounds normal for the kind of system you seem to have. Higher numbers of degrees of freedom require closer temperature spacing. Is there any other way to determine the spacing? Can the equation > T(i)=T(0).e(k.i) be used, as we are unable to comprehend it? > Yes, but if you want exchanges to occur, there are constraints on the size of k. What's so hard about T(i+1)=T(i)*k? Mark -- 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
