[gmx-users] Gromacs 3.3.1 vs SegFault

[David van der Spoel]

Stas Bobritsky wrote:
> Hi all.
> I`m trying to make short MD simulation in tRNA+water+ions(Na+) system.
> But mdrun fails with Segmentaiont Fault. I can`t fix it, please help, if 
> it`s possible.
> Gromacs version: 3.3.1
> Forcefield: ffamber99p.
> 
most likely a bad starting structure. try to minimize without water and 
ions first, then add ions and water.


> Stas Bobritsky, student.
> 
> 
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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://folding.bmc.uu.se
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