Hello,

I am running a simulation of 50000 time steps and am trying to avoid setting
nstxtcout = 1 or nstxout = 1.  The file size becomes unmanageable if I set
either of these two parameters to 1.  I do not need the coordinates for all
atoms in the system, just the alpha carbons, which are grouped in the index
file, but I do need coordinates for each time step.  Is there any way of
specifying in the parameter file to only output the coordinates for the alpha
carbons?  Thanks!

--Venk   

______________________________

Venkatesh Hariharan
The Pennsylvania State University
Schreyer Honors College
Undergraduate - Bioengineering

"You must be the change you wish to see in the world."
--Mohandas Karamchand Gandhi


_______________________________________________
gmx-users mailing list    gmx-users@gromacs.org
http://www.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