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 - 06:00:03 PDT
