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<P>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!<BR><BR>Thank you for your help and suggestion!</P></DIV>
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<DIV></DIV>From: <I>"Tsjerk Wassenaar"
<tsjerkw@gmail.com></I><BR>Reply-To: <I>Discussion list
for GROMACS users
<gmx-users@gromacs.org></I><BR>To: <I>"Discussion list for
GROMACS users"
<gmx-users@gromacs.org></I><BR>Subject: <I>Re: [gmx-users]
about the pressure</I><BR>Date: <I>Tue, 20 Mar 2007 18:05:26
+0100</I><BR>>Congratulations, you're the Nth user asking this question
on the<BR>>gromacs user list, where N is some very large number! (In
other <BR>>words,<BR>>here's another one for the
FAQ).<BR>><BR>>It is indeed in bar. The fluctuations originate from
the fact that <BR>>the<BR>>pressure is a macroscopic quantity and
your MD system is <BR>>microscopic.<BR>>You could've read such things
in standard texts on MD, possibly in <BR>>the<BR>>Gromacs manual and
certainly in the archives of the user list. <BR>>Please<BR>>consult
these first if you run into a problem or a question.<BR>><BR>>And
please also read
<BR>>http://www.catb.org/~esr/faqs/smart-questions.html<BR>><BR>>Best,<BR>><BR>>Tsjerk<BR>><BR>>On
3/20/07, Liu Lin <littlefoxgg@hotmail.com>
wrote:<BR>>><BR>>>Dear
Everyone:<BR>>><BR>>><BR>>> What is the units
of the pressure produced by the g_energy? Is <BR>>>it bar?
In<BR>>>my results, the range of the pressure is between + - 400.Is
it <BR>>>right?<BR>>><BR>>> How to make a
constant pressure in the md.mdp
file!<BR>>><BR>>><BR>>> thanks a
lot!<BR>>>________________________________<BR>>>使用世界上 最大
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post?
Read<BR>>>http://www.gromacs.org/mailing_lists/users.php<BR>>><BR>><BR>><BR>>--<BR>>Tsjerk
A. Wassenaar, Ph.D.<BR>>Junior UD (post-doc)<BR>>Biomolecular NMR,
Bijvoet Center<BR>>Utrecht University<BR>>Padualaan 8<BR>>3584 CH
Utrecht<BR>>The Netherlands<BR>>P: +31-30-2539931<BR>>F:
+31-30-2537623<BR>
<P>>_______________________________________________<BR>>gmx-users
mailing
list gmx-users@gromacs.org<BR>>http://www.gromacs.org/mailman/listinfo/gmx-users<BR>>Please
don't post (un)subscribe requests to the list. Use the<BR>>www interface
or send it to gmx-users-request@gromacs.org.<BR>>Can't post? Read
http://www.gromacs.org/mailing_lists/users.php<BR>
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