[gmx-users] contact

Erik Marklund erikm at xray.bmc.uu.se
Mon Aug 14 15:16:04 CEST 2006

Well, one way is to use g_hbond -contact. It will give you the number of
contacts each frame plus some additional information, if that's what
you're after. Make sure you use the cvs version of g_hbond, since
previous versions did not handle contacts correctly (for some reason,
most of my replies on this list seem to end in that very sentence).

On Mon, 2006-08-14 at 06:06 -0700, mahbubeh zarrabi wrote:
> Dear gromacs users
> How can i calculate the number of contacts during the
> MD trajectory in complex(protein-protein)?
> best regard
> __________________________________________________
> Do You Yahoo!?
> Tired of spam?  Yahoo! Mail has the best spam protection around 
> http://mail.yahoo.com 
> _______________________________________________
> gmx-users mailing list    gmx-users at 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 gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
Erik Marklund, PhD Student, Molecular Biopcysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone: +46 18 471 4537          fax: +46 18 511 755
erikm at xray.bmc.uu.se

More information about the gromacs.org_gmx-users mailing list