Unit of Force constant of position restraint

From: Junwoong Yoon (junwoony_at_andrew.cmu.edu)
Date: Sun Mar 17 2019 - 23:20:07 CDT

Dear all,

What is the unit of the force constant used in position restraint.

"constraints" has the potential k(x-x0)^p. And the description says
Per-atom values for k can be defined in consfile/conskcol. If I set the
value in the conskcol (k) to 1 and the consexp (p) to 4, what would be the
unit of k?
I thought it would be something like kcal/mol/Angstrom^4, but the
"per-atom" value confused me.
Thank you

This archive was generated by hypermail 2.1.6 : Thu Dec 31 2020 - 23:17:10 CST