Add repulsive potential with dummy atom

From: Ropon-Palacios G. (biodano.geo_at_gmail.com)
Date: Fri Mar 12 2021 - 14:54:01 CST

Dear namd user,

 

How can add LJ 12 6 E (r) = 4ε[(σ/r) − (σ/r) ] this respulsive potential where ε = 10−3 kJ/mol, σ = 20 Å, and r is the distance between the centers of mass of the ligands?

 

How add this in rtf or parm files?

 

Best,

 

Geo.

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