Thank you, What about the pressure that need to be used at that temperature (for a system of a protein in tip4p water)
Thank you With Regards Kavya On Mon, Oct 17, 2011 at 3:29 PM, bipin singh <bipinel...@gmail.com> wrote: > As far as I know we do energy minimization at room temperature only. > Only during equilibration > (NVT and NPT) we use high temperature for maintaining proper density > before starting the final production run. > > On Mon, Oct 17, 2011 at 15:15, Kavyashree M <hmkv...@gmail.com> wrote: > > Dear users, > > > > For simulating a protein at high temperature (more than 300K, > > less than 400K) using OPLSAA forcefield, what are the parameters > > other than Temperature that need to be taken care of? > > Does the energy minimization step also needs to be done at high > > temperature? (here my aim is not to simulate an unfolding event) > > I have a reference - > > Biophysical Journal Volume 94 June 2008 4444–4453 > > > > Any other references or suggestions will be helpful. > > > > Thanking you > > With Regards > > M. Kavyashree > > > > > > -- > > 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 > > > > > > -- > ----------------------- > Regards, > Bipin Singh > -- > 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 >
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