[gmx-users] Melting temperature of the potato, a bug in grompp?

[Tsjerk Wassenaar]

Hi Xavier,

Have you checked the genome and made sure your potato did not suffer
from any infection? This will have a significant effect on the melting
temperature. Maybe it helps if you link an image of the potato at the
end of the simulation.

Tsjerk

On Sun, May 11, 2008 at 12:23 AM, Xavier Periole <X.Periole at rug.nl> wrote:
>
> Dear grompp users,
>
> I can not reproduce the experimental melting temperature of the
> potato from the south east of my region! Even at 1 atm, for which
> the result is known.
>
> What is wrong with my trajectory?
>
> please help,
> XAvier
>
> -----------------------------------------------------
> XAvier Periole - PhD
>
> NMR & Molecular Dynamics Group
> University of Groningen
> The Netherlands
> http://md.chem.rug.nl/~periole
> -----------------------------------------------------
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-- 
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623