Re: Temperature assignment REMD

From: Yan Zhou (zhouyan_at_iupui.edu)
Date: Mon Jan 05 2015 - 02:27:56 CST

Glad to hear from you! My salary is also not high in China. The salaries of
the teachers in high schools, middle schooles, or elementary schools are
even higher than mine. For example, my current salary is expected to be a
little more than 3000 rmb/month (I haven't got any salary by now and I
don't know how much I will have), the teachers in higher schools can have
about 8000 rmb/month, the teachers in the elementary schools can have about
6000 rmb/month. In the beginning, I really don't understand that. I spent
so many years to become a PhD, but finally my salary is even lower than
those only with bachelor's degrees, how come? They told me that those
teachers spend more time in teaching and teachers in colleges have much
less time in teaching each semester. Teachers in colleges don't live on
salaries, they live on doing researches. For example, in my university, you
will have bonus if you have published a paper or written a book, or your
research proposal has been approved, and so on. These bonus is much larger
than your salary. So now I am relived. I don't know whether it is also
similar in Maxico. You can ask your friends to confirm it. Just go back to
your country, don't mind your salary, have stable jobs, then your life will
getting better and better.

Best wishes,
Yan

On Mon, Jan 5, 2015 at 3:29 PM, Norman Geist <norman.geist_at_uni-greifswald.de
> wrote:

> If you use explicit solvent, you might btw. be interested in the TIGER2
> REMD algorithm which overcomes the problem of many needed replicas for
> suitable exchange probability and the problem of raised exchange
> probability on higher temperature replicas due increased pressure and small
> potential energy difference.
>
>
>
> I have made a implementation suitable for NAMD 2.10 based on the MPI
> calls. If you want, or anyone else I could post it here.
>
>
>
> Norman Geist.
>
>
>
> *Von:* owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] *Im
> Auftrag von *divya nayar
> *Gesendet:* Samstag, 3. Januar 2015 15:36
> *An:* namd-l_at_ks.uiuc.edu
> *Betreff:* namd-l: Temperature assignment REMD
>
>
>
> Hi,
>
>
>
> I am doing REMD simulation of small peptides in explicit solvent using
> NAMD 2.9 version. I want to know more about the way NAMD generates
> temperatures for replicas. It uses an exponential formula, but I want to
> know the reason as to why NAMD uses it. Is there any reference from
> literature for the same because I have come across other methods of
> generating temperatures based on potential energy distributions of the
> system which have been described in literature .
>
>
>
> What is the advantage of using exponential distribution of temperatures
> for replicas of system?
>
>
>
> Best,
>
> Divya
>

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