[gmx-users] little bug in g_mindist

Yiannis Nicolis ioannis.nicolis at free.fr
Fri May 14 15:15:10 CEST 2004


Hello,
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:

*nmin++;

I put:

(*nmin)++;

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,

Ioannis




More information about the gromacs.org_gmx-users mailing list