[gmx-users] apply restraints between CoM similar to distance restraints

nahren manuel meetnahren at yahoo.com
Tue Jun 30 14:17:57 CEST 2015


Hi,I have  a protein which is a dimer. I would like apply a harmonic restraints such that between 0A to 10A (Angstrom) it is zero, and above 10 a harmonic potential is applied. In other words,is there a way to implement restraints between Center of Mass of two chains in a way similar to distance restraints  (section 4.3.5 of 5.0.5 manual).
Best,nahren


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