[gmx-users] pressure coupling problem

[David van der Spoel]

On Fri, 2004-07-09 at 07:24, raj vel wrote:
> hello all,
> after energy minimization, for protein in water, i had
> done mdrun. the following error comes up:
> 
> Step 1  Warning: pressure scaling more than 1%, mu:
> 1.083 1.083 1.083
> Warning: Only triclinic boxes with the first vector
> parallel to the x-axis and the second vector in the
> xy-plane are supported.
> 
equilibrate longer (with pos res) use larger tau_p

> any suggestion.
> thanx a lot
> 
> =====
> 
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone:  +46 18 471 4205  fax: +46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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