[gmx-users] position restraints crashing

[Alan Dodd]

Interestingly, merging the peptide chains to one
results in PR working fine.  Smells like a bug to
me... but I guess that's the price of using an old
version.

--- Steffen Wolf <swolf at bph.rub.de> wrote:

> Yes, so it looks that minimization ended at a
> metastable point, which 
> was surmounted by a free MD run but kept by the PR
> and therefore caused 
> the system to crash. Which minimization algorithm
> did you use? Steep or CG?
> 
> -- 
> Dipl.-Chem. Steffen Wolf
> Department of Biophysics
> University of Bochum
> ND 04/67
> 44780 Bochum
> Germany
> Tel: +49 (0)234 32 28363
> Fax: +49 (0)234 32 14626
> E-Mail: swolf at bph.rub.de
> Web: http://www.bph.rub.de 
> 
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