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 <[email protected]> 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 [email protected] > 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 [email protected]. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- ----------------------- Regards, Bipin Singh -- gmx-users mailing list [email protected] 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 [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
