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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