Dear all,
I am planning to do REMD for a system containing Protein, Urea, Osmolyte
and water, I want to generate the temperature replica. So the REMD
temperature generator asks for number of water molecules only, but here in
my case there are something more in the system, So is it fine that I
021%2Fct800016r. For a
> given average exchange probability, choose a range and thus the number of
> replicas, or the number of replicas and thus the range.
>
> Mark
>
> On Fri, Jul 20, 2018, 10:39 Ligesh Lichu wrote:
>
> > Dear all,
> > I have performed RE
ennessee/Oak Ridge National Laboratory
> Center for Molecular Biophysics
>
>
> From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se <
> gromacs.org_gmx-users-boun...@maillist.sys.kth.se> on behalf of Ligesh
> Lichu
> Sen
Dear all,
I have performed REMD for a system containing Protein, Reline, Urea and
Water in the temperature range 290 to 450 K consist of 16 replicas out of
47 replicas generated by REMD temperature generator. But after the MD
simulation the exchange probability is zero. I have used position
