[gmx-users] little bug in g_mindist
David van der Spoel
spoel at xray.bmc.uu.se
Fri May 14 15:22:29 CEST 2004
On Fri, 2004-05-14 at 15:15, Yiannis Nicolis wrote:
> I encountered a problem with g_mindist:
> while it computes OK the mindist, it shows 0 for number of contacts
> (file numcont.xvgcontains 0 for all times, all groups).
> I think I traced the error in line 202 of src/tools/gmx_mindist.c
> Instead of:
> I put:
> and it seems to work OK. I believe the *nmin++ form increments the
> pointer instead of the value. Maybe a compiler problem? (it's on linux
> on a dual Athlon).
> If it's true it should also be corrected in line 204 with nmax, but I
> don't know what nmax is.
> Hope it helps,
Thanks, I fixed it in CVS.
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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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