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 ca
Hi,
On Mon, Apr 16, 2018 at 10:21 AM ISHRAT JAHAN wrote:
> Dear all,
> I am trying to do REMD simulation in different cosolvents. I have generated
> temperatures using temperature genrating tools but it gives different
> number of temperatures in different solvents with exchange probability of
>
Dear all,
I am trying to do REMD simulation in different cosolvents. I have generated
temperatures using temperature genrating tools but it gives different
number of temperatures in different solvents with exchange probability of
0.25. Is it fair to do remd with different replicas? In what way it w