Dear Shay, dear Justin, dear Gromacians

My problem is solved. I used following command   

$ g_mindist -f system_onlyCa.xtc -s system_onlyCa.pdb -n system_onlyCa.ndx -o 
atm-pair.out 

The PDB file "system_onlyCa.pdb" had a header which seems to have confused the 
counting of the "g_mindist" command. After deleting the the PDB header/ 
comments, I get the correct results.

Thanks for your feedback
Peter
-- 
Jetzt kostenlos herunterladen: Internet Explorer 8 und Mozilla Firefox 3.5 -
sicherer, schneller und einfacher! http://portal.gmx.net/de/go/chbrowser
-- 
gmx-users mailing list    gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the 
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/mailing_lists/users.php

Reply via email to