[gmx-users] Number of native contact

llshen lshen at gwdg.de
Mon Jan 24 10:38:18 CET 2005

Dear gmx-users,
I want to calculate time dependent number of contacts between two groups.  As previously someone mentioned in the list, g_mindist seems have problem to report righ number of contacts. The output file numcont.xvg always reports 0, no matter -d 2.0 or -d 0.3. 
Is it a bug? How to fix it?


Lingling Shen

Max-Planck-Institut fuer biophysikalische Chemie
Arbeitsgruppe fuer theoretische molekulare Biophysik
Am Fassberg 11 D-37077 Goettingen, GERMANY

Tel.: +49(551)201-2321,  Fax.: +49(551)201-2302
email: lshen at gwdg.de

More information about the gromacs.org_gmx-users mailing list