[gmx-users] Re: how is the pulling force measured

alex.bjorling alex.bjorling at gmail.com
Mon Apr 29 21:42:59 CEST 2013

kim2811 wrote
> Hi,
> I am not sure if I quite understand what reference group and pulling group
> mean in COM pulling. For the version GROMACS 4.X, I specified in my .mdp
> file the pull_ngroup = 1, and then I have my pull_group0 and pull_group1.
> Am I right in saying that the pull_group0 is fixed and only the
> pull_group1
> is pulled? Or are they simultaneously being pulled by two virtual springs?
> If this is the case, how is the force output measured?

That depends on other options, such as pull_geometry. All of this is really
well explained in the manual, section 7.3.21.


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