Brian Stephenson wrote:
I have played around with tau_p, even increasing it to very high values
such as 100
and still get the pressure scaling problems. I've also energy minimized
many times,
to no avail. For this particular system I've been thinking there isn't
anything very
unphysical going
ile. Any ideas on either getting around this period
of instability
or turning off the pressure scaling errors?
Thanks,
-Brian
Message: 4
Date: Sat, 25 Feb 2006 09:48:00 +0100
From: David van der Spoel <[EMAIL PROTECTED]>
Subject: Re: [gmx-users] pressure scaling and hard drive spac
ng errors?
Thanks,
-Brian
Message: 4
Date: Sat, 25 Feb 2006 09:48:00 +0100
From: David van der Spoel <[EMAIL PROTECTED]>
Subject: Re: [gmx-users] pressure scaling and hard drive space
To: Discussion list for GROMACS users
Message-ID: <[EMAIL PROTECTED]>
Content-Type: text/plain; chars
Hi Brian,
if you are using Berendsen pressure coupling (and your system is in the
equilibration phase) try increasing tau-p.
Regards.
Pedro.
Anyone know how to turn off those pesky "pressure scaling is greater
than 1%" error messages? Instead of crashing, my simulations keep
running with e
Brian Stephenson wrote:
Anyone know how to turn off those pesky "pressure scaling is greater
than 1%" error messages? Instead of crashing, my simulations keep
running with errors and I keep running out of hard drive space when the
simulation keeps sending out the warnings over and over again.
Anyone know how to turn off those pesky "pressure scaling is greater than
1%" error messages? Instead of crashing, my simulations keep running with
errors and I keep running out of hard drive space when the simulation keeps
sending out the warnings over and over again. I'm using mdrun with th
6 matches
Mail list logo
