This caught my eye because I'm working with the leap code now. What the
message is saying is that you must choose ONE or parm99.dat (used by
ff99SB), parm10.dat (used by ff14SB and the existant but unpublished
ff12SB), or parm15ipq_10.3.dat (ff15ipq), or parm19.dat (ff19SB).
Different force fields are mutually exclusive in this context--you must
choose one. Even if you want to use pieces of each, sourcing all of those
different files would overwrite parameters willy-nilly, so you want to be
in control of the definitions that will construct your system.
Dave
On Sun, May 10, 2020 at 2:15 PM Lachele Foley <lf.list.gmail.com> wrote:
> Sorry to take so long to respond.
>
> I need the contents of your job.in script.
>
> On Thu, Apr 30, 2020 at 3:56 AM MYRIAN TORRES RICO
> <myriam.torres.iiq.csic.es> wrote:
> >
> > tleap -s -f job.in
> >
> >
> > Lachele Foley <lf.list.gmail.com> escribió:
> >
> > > What are the commands you are using in tleap? Copy them here.
> > >
> > > On Tue, Apr 28, 2020 at 5:26 AM MYRIAN TORRES RICO
> > > <myriam.torres.iiq.csic.es> wrote:
> > >>
> > >>
> > >> Hi,
> > >>
> > >>
> > >> I'm trying to launch a calculation with tleap, but It appears this
> error:
> > >>
> > >> Error: Cannot load more than one of parm99/10/15.dat
> > >>
> > >> I have charged in the directory the file parm99.dat, thus I don't
> > >> understand why ask me thisfile parm99/10/15.dat...where it is?
> > >>
> > >>
> > >> Thanks in advance,
> > >>
> > >>
> > >> Myriam
> > >>
> > >>
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> > >
> > >
> > >
> > > --
> > > :-) Lachele
> > > Lachele Foley
> > > CCRC/UGA
> > > Athens, GA USA
> > >
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> >
> >
> >
> >
> > _______________________________________________
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>
>
>
> --
> :-) Lachele
> Lachele Foley
> CCRC/UGA
> Athens, GA USA
>
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Received on Sun May 10 2020 - 12:30:02 PDT
