Sorry for the delay..Thank you Mark..
On Sat, Jul 21, 2018 at 2:09 AM, Mark Abraham
wrote:
> Hi,
>
> You can't arbitrarily choose both the temperature range and number of
> replicas and get non-zero exchange probability. See
> https://pubs.acs.org/action/showCitFormats?doi=10.1021%2Fct800016r.
Hi,
You can't arbitrarily choose both the temperature range and number of
replicas and get non-zero exchange probability. See
https://pubs.acs.org/action/showCitFormats?doi=10.1021%2Fct800016r. For a
given average exchange probability, choose a range and thus the number of
replicas, or the number
Ligesh
> > Lichu
> > Sent: Friday, July 20, 2018 4:39 AM
> > To: gmx-us...@gromacs.org
> > Subject: [gmx-users] REMD Showing Zero Exchange Probability
> >
> > Dear all,
> > I have performed REMD for a system containing Protein, Reline, Urea
> and
&
t: Friday, July 20, 2018 4:39 AM
> To: gmx-us...@gromacs.org
> Subject: [gmx-users] REMD Showing Zero Exchange Probability
>
> 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 replic
...@maillist.sys.kth.se
on behalf of Ligesh Lichu
Sent: Friday, July 20, 2018 4:39 AM
To: gmx-us...@gromacs.org
Subject: [gmx-users] REMD Showing Zero Exchange Probability
Dear all,
I have performed REMD for a system containing Protein, Reline, Urea and
Water in the temperature range 290 to 450 K
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
