Hi,
> 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?
If you're not running further simulations then it's fine (CMAP isn't
used for any analysis stuff). Or you can upgrade to a recent cpptraj
and keep the terms :-).
-Dan
>
>
>
>
>
> 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.
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Fri Jun 11 2021 - 12:00:02 PDT
