[gmx-users] extracting individual particles properties

Justin A. Lemkul jalemkul at vt.edu
Fri Feb 26 23:58:39 CET 2010

Your message certainly has appeared, and received replies:


You can always check the thread to see if it's hit the list.


Payman Pirzadeh wrote:
> Hello,
> This is the third time I am sending this e-mail, and I am not sure why 
> it does not show up on the list!!!!
> I have a simulation from which I have the .edr,  .xtc and .trr files. I 
> want to color my particles based on rmsd, potential energy, Sg 
> (tetrahedral parameter) or any other parameters in a specific 
> configuration. Is there a way to extract individual particle’s 
> properties out of these files?
> Thanks.
> Payman


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


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