[gmx-users] how to fix the center of mass of the three N-terminal atoms in a triple helix?

Ming Tang m21.tang at qut.edu.au
Mon Mar 16 13:37:30 CET 2015


Deer all,
I am trying to use the steered molecular dynamic method to study a triple helix.
According to a paper, it can be done through fixing the COM of the three terminal by means of a strong harmonic
restrain with a super large spring constant, and pull the C-terminal by an appropriate spring constant in Gromos96 53a6.
But I still do not know how to keep the COM fixed.
Could anybody give me same guidance?

Thanks a lot,
Ming


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