System temperature check of specific atoms , sys temp of only coupled atoms?

From: Karson Bader (
Date: Thu Jul 21 2016 - 15:36:13 CDT

I tried using a separate pdb file with the beta column marking only the atoms (surface atoms), but when the program checks the system temperature, it appears to look at ALL the moving atoms in the system to determine the system temperature. Then it determines if it should adjust the forces on the atoms assigned by tcouple.

Is it possible to have the system temperature check only the atoms that are defined by the beta-column in the tcouple file?


is there a way to remove particles based off of their position (along the z-axis) from the system temperature analysis or from the system entirely?

if either of these are possible, please let me know the best way to do this--_000_BY2PR18MB04876F55CF98D42A49085EBBC8090BY2PR18MB0487namp_--

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