Hi Dan,
Thank you for your email. I do end up writing a new topology file out, but I
am only striping waters etc out to deal with smaller trajectories, not to
run further simulations. I presume that is ok but could you confirm that?
Thank you for your help,
L. ---------- Původní e-mail ----------
Od: Daniel Roe <daniel.r.roe.gmail.com>
Komu: AMBER Mailing List <amber.ambermd.org>
Datum: 4. 6. 2021 14:23:18
Předmět: Re: [AMBER] CMAP topology flag skipped
"Hi,
You will need cpptraj version 5.0.1 or greater from GitHub, or cpptraj
from AmberTools 21 (which is version 5.1) to avoid these warnings.
However, if you're not writing any topologies (i.e. you're just doing
coordinate analysis) you can ignore these warnings.
-Dan
On Fri, Jun 4, 2021 at 6:33 AM Loki <Vellryba.seznam.cz> wrote:
>
>
> Dear all,
>
>
>
>
>
> After loading parm file created using the CHARMM GUI tool I am getting
these
> warnings:
>
>
>
>
>
> CHAMBER topology:
> CHARMM36 All-atom Force Field
> Warning: Amber topology flag 'CMAP_COUNT' is unrecognized and will be
> skipped.
> Warning: Amber topology flag 'CMAP_RESOLUTION' is unrecognized and will be
> skipped.
> Warning: Amber topology flag 'CMAP_PARAMETER_01' is unrecognized and will
be
> skipped.
> Warning: Amber topology flag 'CMAP_PARAMETER_02' is unrecognized and will
be
> skipped.
> Warning: Amber topology flag 'CMAP_PARAMETER_03' is unrecognized and will
be
> skipped.
> Warning: Amber topology flag 'CMAP_PARAMETER_04' is unrecognized and will
be
> skipped.
> Warning: Amber topology flag 'CMAP_INDEX' is unrecognized and will be
> skipped.
>
>
>
>
> I have found a previous thread where Dan suggested the latest version of
> cpptraj should solve this but I have the same problem after loading the
> latest version. I was just wondering if anyone can help.
>
>
>
>
>
> Thank you,
>
>
> L.
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> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
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Received on Thu Jun 10 2021 - 03:00:02 PDT
