[gmx-users] Gradual deformation of position-restrained structure

Alex nedomacho at gmail.com
Tue Dec 20 06:57:48 CET 2016

Hi all,

Quick question: I have two nearly identical simulations running on GMX 
5.1.2 and GMX 2016.1. The COM pull energies in the logs have opposite 
signs even though the pull code in the inputs is the same and basically 
the same process is taking place for nearly identical structures. Did 
something change in the code that now flips the sign of the energy?



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