[gmx-users] problem running posre

[andrea spitaleri]

Hi all,
I am encountering in a very strange problem. Feeding a protein (after minimization) to a position 
restraints simulation after few steps (10-20) I am getting this crash error:
"Number of grid cells is zero. Probably the system and box collapsed"
However, submitting with the same input a simulation with "no" position restraints the runs goes 
fine. I tried using posrefc 1000 and lower (200). Same result.
Any suggestion?

Regards

andrea

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Andrea Spitaleri PhD
Dulbecco Telethon Institute
c/o DIBIT Scientific Institute
Biomolecular NMR, 1B4
Via Olgettina 58
20132 Milano (Italy)
http://biomolecularnmr.ihsr.dom/
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