[gmx-users] gmx traj -ot output question

[Felix Y Yang]

Hi all,


I've noticed that the help page for "traj" says the -ot output doesn't take into account corrections for constrained degrees of freedom. Is there a particular reason for this? Is there a reference for the corrections that are done for the temperatures in the .log output files that would account for the temperature differences in these two places?


Thank you.


Felix Yang
Graduate Master's Student
Department of Chemistry & Biochemistry
University of California, San Diego