[gmx-users] about the pressure

[Erik Lindahl]

Hi,

I should probably chip in here and say that Tsjerk, Mark, and David  
(Mobley) are doing an _amazing_ job of helping people here (in  
particular with complex issues), so I think it's more than fine when  
they occasionally say "read the manual/search the archive" in a  
tounge-in-cheek-way.

After all, hopefully it helped you find the answer you were looking  
for, and that's much better than not receiving any reply at all ;-)

Cheers,

Erik


On Mar 20, 2007, at 8:08 PM, Tsjerk Wassenaar wrote:

> Hi Liu Lin,
>
> It's not about bothering anybody... I'm not paid to answer to the
> list, as nobody here is, so I'm fully free not to answer at all, as is
> everybody here. However, since you would like to get answers when
> there's no other source around than more experienced users, it's in
> your own benefit to keep the mail list fit. That means that you have
> to do background search whenever you encounter a problem and not just
> run to the nearest mail program and post to the list. There's quite a
> manual, there's lots of stuff written on molecular dynamics and there
> are many questions and answers in the gromacs user list archive. You
> can expect the latter to contain lots and lots of questions from
> newbies like yourself. Just as a FYI, the link I sent contains very
> useful information for when you want to move people on a (free of
> will) user list to answer you.
>
> Best,
>
> Tsjerk
>
> On 3/20/07, Liu Lin <littlefoxgg at hotmail.com> wrote:
>>
>>
>>
>> I am sorry for bothering you. I am a new one to this family ,so I  
>> do not
>> know much about it.But I will search the list first next time!
>>
>> Thank you for your help and suggestion!
>>
>>  ________________________________
>>
>> From:  "Tsjerk Wassenaar" <tsjerkw at gmail.com>
>> Reply-To:  Discussion list for GROMACS users <gmx-users at gromacs.org>
>> To:  "Discussion list for GROMACS users" <gmx-users at gromacs.org>
>> Subject:  Re: [gmx-users] about the pressure
>> Date:  Tue, 20 Mar 2007 18:05:26 +0100
>>
>> >Congratulations, you're the Nth user asking this question on the
>> >gromacs user list, where N is some very large number! (In other
>> >words,
>> >here's another one for the FAQ).
>> >
>> >It is indeed in bar. The fluctuations originate from the fact that
>> >the
>> >pressure is a macroscopic quantity and your MD system is
>> >microscopic.
>> >You could've read such things in standard texts on MD, possibly in
>> >the
>> >Gromacs manual and certainly in the archives of the user list.
>> >Please
>> >consult these first if you run into a problem or a question.
>> >
>> >And please also read
>> >http://www.catb.org/~esr/faqs/smart-questions.html
>> >
>> >Best,
>> >
>> >Tsjerk
>> >
>> >On 3/20/07, Liu Lin <littlefoxgg at hotmail.com> wrote:
>> >>
>> >>Dear Everyone:
>> >>
>> >>
>> >>   What is the units of the pressure produced by the g_energy? Is
>> >>it bar? In
>> >>my results, the range of the pressure is between + - 400.Is it
>> >>right?
>> >>
>> >>   How to make a constant pressure in the md.mdp file!
>> >>
>> >>
>> >>   thanks a lot!
>> >>________________________________
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>> >>
>> >
>> >
>> >--
>> >Tsjerk A. Wassenaar, Ph.D.
>> >Junior UD (post-doc)
>> >Biomolecular NMR, Bijvoet Center
>> >Utrecht University
>> >Padualaan 8
>> >3584 CH Utrecht
>> >The Netherlands
>> >P: +31-30-2539931
>> >F: +31-30-2537623
>>
>>
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>>
>>
>>
>>
>>
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>
>
> -- 
> Tsjerk A. Wassenaar, Ph.D.
> Junior UD (post-doc)
> Biomolecular NMR, Bijvoet Center
> Utrecht University
> Padualaan 8
> 3584 CH Utrecht
> The Netherlands
> P: +31-30-2539931
> F: +31-30-2537623
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php