Re: [AMBER] Computing Hessian in Internal Coordinates?

From: case <>
Date: Tue, 19 Jan 2010 14:30:59 -0500

On Tue, Jan 19, 2010, Kevin Wiehe wrote:

> I currently use NAB to compute the Hessian in xyz space. Is there a
> way in AMBER to compute the hessian in internal coordinates?

No. (nmanal never did this, either).


AMBER mailing list
Received on Tue Jan 19 2010 - 12:00:02 PST
Custom Search