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by Joy Yang
Tue Nov 29, 2022 9:11 am
Forum: OpenMM
Topic: adding distance constrain between the centers of two molecules
Replies: 2
Views: 298

adding distance constrain between the centers of two molecules

Hi, I'm new to OpenMM. Could someone help on adding distance constrain between the mass centers of two molecules? e.g.

f= k(r-ro)^a, r>r0
f=0,r<=r0

r is the distance between the centers of two molecules.

How should define the external force in openmm?

Thank you very much!