[gmx-users] Problem with tabulated potentials

Justin A. Lemkul jalemkul at vt.edu
Tue Apr 20 00:01:36 CEST 2010

The only hysterical email I've seen is the one I just read.  Posting etiquette 
tips to users is not unreasonable.  For those of us who receive dozens of 
personal requests a week, it becomes somewhat tiresome.  For this reason, we 
must use very clear language that directs the user to the proper resources.  I 
have experienced several communications where users simply do not understand 
(for a number of reasons, usually a language barrier or stubbornness) that I am 
unable to help them until I make comments like Mark's.

I would ask you, what have you contributed?  If you can improve upon any 
resources, please do.  Gromacs is a user-supported community.  If you think 
someone is wrong or you can explain something better, step up.  Otherwise, don't 
undermine someone else's honest attempt to help out.  I think Gareth's document 
is a nice walk-through of a simple example of tabulated potentials, which 
complements the three or so paragraphs in the manual.

Mark has helped literally thousands of people over this list, and his advice (as 
well as several others') was invaluable to me in preparing a difficult project. 
  If you have no other comments than to bring others down, feel free to delete 
the emails you don't care about.  This list is for productive discussion and 
scholarly exchange.  No need for these snide remarks.  None of what you've 
posted is "constructive," as you claim, but your mail is now archived as a 
record of an unprofessional and unnecessary rant.


Jhony Tolengo wrote:
> Hello Gromacs users, 
> This is constructive criticism to some people on the list...
> Tabulated potentials are an advanced feature of Gromacs and the people 
> who is looking for help on the mailing list (certainly not experienced) 
> deserve a little respect, simply because they eventually will contribute 
> to the human knowledge, like probably every single person that search 
> answers on the list.
> I'm saying this because of the dramatic answers that can be readed here:
> http://lists.gromacs.org/pipermail/gmx-users/2010-April/050256.html
> Gromacs manual requieres: knowledge about molecular modeling in general 
> and patience. More than a guide the manual is a challenge and specially 
> the  tabulated potentials stuff. People often doesn't have time to learn 
> a new programming languaje to see inside the code to understand how the 
> machine works (this is the reason for a manual!). Because I usually work 
> with high MW polymers, I know the feeling of discouragement when you're 
> trying to use Gromacs for this kind of systems. But If I had received 
> such an hysterical answer like 
> http://lists.gromacs.org/pipermail/gmx-users/2010-April/050256.html
> or 
> http://lists.gromacs.org/pipermail/gmx-users/2010-April/050252.html
> without any doubt, I'd change the simulation software.
> Mark.Abraham: take an anxiolytic pill if you continue suffering this 
> mood disorder when you receive an e-mail with a simple consultation.
> Gareth Tribello: your guide doesn't tell anything that complements the 
> manual, why you have written it? (go to the talk shows if you  want to 
> start to be famous) I had to eat my pasta cold because of this gossips!
> Peace.
> J.M.S.


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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