Re: [AMBER] Differences in AMBER force fields

From: Petr Jurecka <jureckap.gmail.com>
Date: Tue, 17 Mar 2015 18:47:57 +0100

Dear Thomas,

you can find the ff99 + bsc0 + e/zOL1 + chiOL4 combination on our web site:

http://fch.upol.cz/en/ff_ol/index.php

We will be updating the site and putting more combinations there.

If you have any questions, do not hesitate to ask.

Regards

Petr

On Tue, Mar 17, 2015 at 12:49 PM, David A Case <case.biomaps.rutgers.edu>
wrote:

> 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.
>
> ...dac
>
>
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Received on Tue Mar 17 2015 - 11:00:02 PDT
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