[gmx-users] extracting individual particles properties

Payman Pirzadeh ppirzade at ucalgary.ca
Fri Feb 26 23:55:18 CET 2010


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? 





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