From: Christopher Stiles (CS145331_at_albany.edu)
Date: Fri Mar 14 2008 - 01:49:53 CDT

I am currently using VMD to analyze single wall carbon nanotube simulations
(swcnt).

I have done 3 sets of runs varying temperature with each set using Gromacs.

The first with a (6,6) swcnt with an output *.trr of 2.86gig

The first with a (10,10) swcnt with an output *.trr of 4gig

The first with a (20,20) swcnt with an output *.trr of 8gig

I have noticed when I go to load them into vmd I get different numbers of
frames even though every simulation was run using the same time step and
same number of steps, giving 10ns runs.

 

I am able to load in approximately 35,000 frames for the (6,6) swcnt.

I am able to load in approximately 25,000 frames for the (10,10) swcnt.

I am able to load in approximately 12,500 frames for the (20,20) swcnt.

 

So my question, is there a limitation on the data size that can be read into
the windows version of VMD? Or is there some other limitation that I am not
aware of? I seems to me that the *.trr files increase in size in
proportionate amounts in relation to there total number of atoms to contain
equal amounts of frames.

 

I appreciate any input on this matter!

 

Thank you very much!

~Christopher Stiles

College of Nanoscale Science and Engineering (CNSE)

State University of New York, Albany, New York 12203, USA