[gmx-users] How to output a single index group

[VENKATESH HARIHARAN]

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


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