Dear all,
the wrong output of g_mindist version 3.3 reported recently seems to
have been due to an inconistency of the default value for the flag
"-ng". Although upon "g_mindist -h" a default value "-ng 1" is claimed,
it seems from the code that the actual default used is 0. For "-ng 0",
g_mindist asks for a second index group, but ignores it and replaces it
by the first one (as it seems from the code). The program works fine if
the flag "-ng 1" is set explicitely. Nevertheless, if I am right, I
would suggest to set the default value "-ng" used by the program to one.
A segmentation fault is obtained with g_mindist if the names for the
selected groups created by make_ndx are too long for complicated
selections. If these automatically generated names are replaced by
shorter ones manually in a text editor, the program again works fine.
Cheers,
Volker
--
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
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
