[gmx-users] calculating force for a restrained structure

Ali Shomali ali.shomali111 at gmail.com
Thu Feb 22 17:41:21 CET 2018

 Dear Justin and all GROMACS users,

I'm simulating a nano tube which is placed in a lipid system. the nano tube
is completely restrained to halt rotation or COM movement. Now, I intend to
calculate the force applied from lipid layer to nanotube. the question is
how can i eliminate the effect of spring force from restraining option? can
i extract the force of a specific group from the net force applied to

Thank you for any help,


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