[gmx-users] mdrun error!

David van der Spoel spoel at xray.bmc.uu.se
Sun Dec 18 10:41:46 CET 2005

Rahul Karyappa wrote:
> Dear all,
>    Until now I have ran MD simulations successfully on my stystems 
> containing polymer and water. But when I added clay into the system, I 
> am not able to run the simulation.  When I start the simulation, it runs 
> for few steps and then it gives error "segmentation fault". I have 
> frrezed the clay group in all the directions and in it's .itp file I 
> have only included atomtypes.
> What could be the cause? I have never received this kind of error in the 
> past. Please help me out. Thanking tou in advance.
Hard to say. Sometimes large forces can cause this.

> Rahul Karyappa
> NCL, Pune
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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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