[gmx-users] gromacs.org_gmx-users Digest, Vol 191, Issue 10

Eduardo Mayo eduardomayoyanes at gmail.com
Sat Mar 7 20:10:17 CET 2020


>
>
>
> Hi!,
>
I mean the page
http://www.gromacs.org/Downloads/User_contributions/Force_fields
has
a amber14sb.ff.tar.gz amber14sb_OL15.ff_corrected-Na-cation-params.tar.gz
but at the top of the page it is a warning that say "These force fields are
provided by volunteer contributors on an as-is basis. The GROMACS team
implies no warranty by hosting them here. If you plan to use any of these
force fields, you should make sure you test them for correctness on your
system. Please let people know what you observe (good or bad!)."
So I was wondering if this force field is realable, like is the any
publication which validate it's results?? Can I use them for my simulation?
Everyone who report Amberff14SB using gromacs use this forcefield file??

> ---------- Forwarded message ----------
> From: Alessandra Villa <alessandra.villa.biosim at gmail.com>
> To: gmx-users at gromacs.org, "gromacs.org_gmx-users" <
> gromacs.org_gmx-users at maillist.sys.kth.se>
> Cc:
> Bcc:
> Date: Thu, 5 Mar 2020 10:23:42 +0100
> Subject: Re: [gmx-users] Amber14SB
> Hi,
>
> Here a page of force field in GROMACS
> http://manual.gromacs.org/documentation/current/user-guide/force-fields.htm
> maybe it helps. I did not fully understand your question
>
> Best regards
> Alessandra
>
> On Tue, Mar 3, 2020 at 10:04 AM Eduardo Mayo <eduardomayoyanes at gmail.com>
> wrote:
>
> > Hi!!
> > I'm sorry if is the amber14sb poster on the gromacs download site good??
> > I've seen the warning on the page and I don't know what to think.
> > Thanks in advance.
>

>


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