regarding input to WHAM program, there are many programs that do WHAM
analysis, and inputs will depend on which you use. contacting the author of
the program would probably be best.
On Mon, Sep 13, 2010 at 8:37 AM, jani vinod <genomejani.gmail.com> wrote:
> Dear Sir,
> I want to do heat capacity calculation for my protein for which I have
> carried out REMD simulation
> I read the paper titled "Calculation of Protein Heat Capacity from
> Replica-Exchange Molecular Dynamics
> Simulations with Different Implicit Solvent Models" .
> I have gone through another literature also but didn't got an appropriate
> solution for wham analysis (especially input to wham program) .
>
>
> Thanks
> vinod
>
> On Mon, Sep 13, 2010 at 5:16 PM, Carlos Simmerling <
> carlos.simmerling.gmail.com> wrote:
>
> > please be more specific- WHAM can be many types of calculations.
> >
> >
> > On Mon, Sep 13, 2010 at 7:45 AM, jani vinod <genomejani.gmail.com>
> wrote:
> >
> > > Dear all,
> > > what are steps involved in carrying out WHAM analysis after an REMD
> > > simulation.
> > > Can REMD trajectories directly be used for WHAM analysis
> > >
> > >
> > > Thanks
> > > vinod
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Received on Mon Sep 13 2010 - 06:00:05 PDT
