[AMBER] The logic behind distance restraints.

From: Manasa Bharath ic44158 via AMBER <amber.ambermd.org>
Date: Wed, 26 Aug 2026 01:44:45 +0530

Dear AMBER developers,

I have a question about the &rst distance restraint in AMBER.

For a constant-force setup, if r1 and r2 are separated by a small distance,
does r2-r1 represent the maximum distance the restrained atoms or molecule
can stretch or the limit when force should act? Is there a computational or
mathematical logic behind this? If yes, please explain that.

Regards,

Manasa
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Aug 25 2026 - 13:30:02 PDT
Custom Search