CCL: Tinker: harmonic torsion potential
- From: "Gustavo A Mercier" <gamercier a
yahoo.com>
- Subject: CCL: Tinker: harmonic torsion potential
Sent to CCL by: "Gustavo A Mercier" [gamercier{=}yahoo.com]
Hi!
I am debugging a program. It would help if I could do some molecular mechanics
with a force field that included a harmonic term for the torsions instead of the
more common fourier series. TINKER (from Ponder's lab) has many options to
modify the potential, including one for harmonic improper torsions. Is there a
way of specifying a "proper" torsion harmonic term? I've gone over the
manual and this does not seem to be an option.
Thanks for your help!
Gustavo A. Mercier, Jr, MD,PhD
gamercier-,-yahoo.com
gustavom-,-baylorhealth.edu