From: Basak Isin (isinbasak_at_yahoo.com)
Date: Mon Oct 11 2010 - 14:56:17 CDT
I really felt the need to respond to this email.
>>Which one is actually used in the example? Or they are used to deal with
>> different problems?
>both. they PME and Langevin serve different purposes.
When these kinds of answers are given to the questions, they do not help so much
to solve the problems. It also gives to the other subscribes the idea that the
question was answered and they don't feel it is necessary to read the email or
the question since they start thinking that it was already answered.
I agree that people have to learn and do as much as possible to solve their
problems before they turn to others but
"Go and look at the literature." "Ask someone who is around you." "This question
shows that you and your system admin do not really know this or anything...."
answers do not really help anybody. It may also discourage people from asking
If one has time and patience to reply to an email in a forum, she/he might also
have time to give the links that explains the basics, too.
From: Axel Kohlmeyer <akohlmey_at_gmail.com>
To: yi jiang <jy.namd_at_gmail.com>
Sent: Mon, October 11, 2010 1:21:04 PM
Subject: Re: namd-l: Langevin process in NAMD tutorial
On Mon, Oct 11, 2010 at 12:14 PM, yi jiang <jy.namd_at_gmail.com> wrote:
> Dear all,
> I am a new to NAMD and have a basic question about the Langevin process in
> NAMD tutorial.
> I noticed in example 3 (1-3-box), both PME and Langevin process are
> activated in the configuration file "ubq_wb_eq.conf". However, according to
> what I understand, it seems that people just need one of the two methods to
> do MD.
> Which one is actually used in the example? Or they are used to deal with
> different problems?
both. they PME and Langevin serve different purposes.
> I will be very appreciated if there is someone answer this basic question
please understand, that this is not the right forum to discuss such
fundamental matters. get hold of a text book on molecular dynamics
and look it up. ...and then find somebody locally to discuss topics
related to MD. these kind of questions are so much better answered,
if you would spend some effort in figuring them out by yourself and
then discuss your findings with somebody more knowledgable in
> Thank you for your attention.
> Yi Jiang
> Graduate student
> Department of Mathematical Sciences
> University of Wisconsin Milwaukee
> Milwaukee, WI 53211
-- Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://sites.google.com/site/akohlmey/ Institute for Computational Molecular Science Temple University, Philadelphia PA, USA.
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