[gmx-users] Re: g_hbond error "Your computational box has shrunk too much"
andcar at chimfarm.unipg.it
Wed Oct 18 14:55:44 CEST 2006
> Is it correct? Did you plot the box volume as a function of time?
> You can use g_hbond for different stretches of the trajectory and
> combine the results manually.
Thanks for the fast reply.
I'm only trying to monitor the hbond formation with the " basic" command
g_hbond -f m93_newtraj.trr -s topol.tpr -n
and giving to the groups selection two different parts of my protein (i've made an index file)..and then the programs suddenly stop.
the default output (-num) should be the total number of hbond per frame.
Please help me again
More information about the gromacs.org_gmx-users