[gmx-users] refcoord_scaling

Katie Maerzke maerzkek at gmail.com
Tue Jul 10 23:48:42 CEST 2012

Hi all -

I'm new to Gromacs (and MD).  I can't figure out whether or not refcoord_scaling is important for an NpT simulation.  In an MC simulation, when the volume changes, the coordinates of the molecules are also scaled.  Does refcoord_scaling control how to handle scaling the molecular coordinates (e.g., scale all coordinates or scale based on COM), or does it do something else?  Is it even important?  I've searched the manual and the user forum, but I haven't found an answer to my question.


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