Re: [AMBER] Differences in AMBER force fields

From: David A Case <>
Date: Tue, 17 Mar 2015 07:49:08 -0400

On Tue, Mar 17, 2015, Thomas Exner wrote:
> I was searching for a detailed description of the differences between
> versions of the AMBER force field but was not able to find anything in
> the manuals as well as the net. Especially, I am interested in the
> nucleic acid part since I know that there were many developments in the
> last time. When, e.g., the chi(OL4) correction was included in the
> standard force field?

I'm assuming you have read carefully Section 3.2.2 of the Amber14 Reference
Manual. We are working to make this clearer in the upcoming (April) revision.

The chi(OL4) term is not in the "standard" (leaprc.ff14SB) force field.
I thought that the files for "ff99 + bsc0 + e/zOL1 + chiOL4" had been posted
somewhere, but I can't find them right now. These will also be in the
upcoming release, and maybe someone on the lists knows where they are now.


AMBER mailing list
Received on Tue Mar 17 2015 - 05:00:04 PDT
Custom Search