[gmx-users] xtc file and trr file

Justin Lemkul jalemkul at vt.edu
Sat Aug 18 00:17:11 CEST 2012

On 8/17/12 5:52 PM, Acoot Brett wrote:
> Dear Justin,
> But it is very difficult to explain why the xtc file gives more frames in VMD than trr file. Can you explain it? Or VMD has made the modification when read the xtc file or the trr file?

It is possible that VMD ran out of memory attempting to load the full-precision 
.trr files.  Using VMD is not a definitive measure of the contents of the file; 
gmxcheck is.



Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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