[gmx-users] Different in Pressure

chiloo Laohpongspaisan chiloo77 at yahoo.com
Mon Aug 15 09:18:31 CEST 2005

Thanks a lot Mark, I will try to do as you mentioned.
Best regards,

Mark Abraham <Mark.Abraham at anu.edu.au> wrote:
chiloo Laohpongspaisan wrote:
> Dear all,
> As you suggested, to use Gromacs 3.2.1 for continuing trajectory. It 
> seems to be good that all the energies and some properties are equal, 
> except pressure. You can see below that i mark the pressure value. Is it 
> significant ? and how can i do to adjust the pressure which will be 
> equal as the other properties. (And the next is my input file that i use) 

This appears to be the same phenomenon I posted about last month (see 
http://www.gromacs.org/pipermail/gmx-users/2005-July/016181.html and 
and follow-ups). I've since had some off-list discussion with Berk Hess, 
but we are no closer to identifying a specific problem.

Perhaps this independent observation made by Chiloo suggests we are both 
observing something real whose cause needs investigation?

Mark Abraham
gmx-users mailing list
gmx-users at gromacs.org
Please don't post (un)subscribe requests to the list. Use the 
www interface or send it to gmx-users-request at gromacs.org.

 Start your day with Yahoo! - make it your home page 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20050815/f9e72bb7/attachment.html>

More information about the gromacs.org_gmx-users mailing list