[gmx-users] genbox failed

David spoel at xray.bmc.uu.se
Thu Sep 30 23:19:56 CEST 2004


On Thu, 2004-09-30 at 23:05, Yunfeng Hu wrote:
> Hi,  I am using the latest gromacs and compiled without errors. I am 
> following John Kerrigan's tutorial for drug-enzyme complex. Gromacs 
> fails at genbox no matter how small the probe is used. Here is a 
> summary of the commands I use:
> 
> editconf -bt octahedron -f test.gro -o test.gro -c -d 0.5
maybe you want to try it with different file names above.

> genbox -cp test.gro -cs spc216.gro -o test_b4ion.gro -p test.top
> 
> segmentation fault in redhat linux 7.0
> bus error in mac osx.3
> 
> Eric
> 
> 
> ###################################
> Yunfeng Hu, Ph.D
> Research Associate
> Department of Molecular Biology, MB-5
> The Scripps Research Institute
> 10550 North Torrey Pines Road
> La Jolla, CA 92037
> Tel. (858) 784-2204
> Fax. (858) 784-2860
> Emal: yunfeng at scripps.edu
> Web: http://www.scripps.edu/~yunfeng
> ###################################
> 
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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://xray.bmc.uu.se/~spoel
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