[gmx-users] Bug in g_mindist version 3.3.1?

Volker Knecht vknecht at mpikg.mpg.de
Fri Jun 23 10:43:37 CEST 2006

Dear all,

there seems to be a bug in g_mindist version 3.3.1. When using g_mindist 
to determine the minimal distance between two molecules in solution as a 
function of time, the output fluctuates around 0.1nm although the 
molecules are separated for part of the time. When using version 3.2.1 
instead, the output is fine (separation on the nm range for part of the 
time in agreement with visual inspection).

Unfortunately, g_mindist version 3.2.1 gives the right output if it 
runs, but in some cases crashes with a segmentation fault as reported in 
the mailing list previously.  Therefore it would very helpful if the 
apparent bug in version 3.3.1 could be fixed.

Thanks in advance.

Kind regards,

Dr. Volker Knecht
Theory Department
Max Planck Institute of Colloids and Interfaces
Research Campus Golm
14424 Potsdam, Germany

Phone: +49-331-567-9610
Fax: +49-331-567-9612

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