Hi,
Did you create the file by yourself? The first line is empty, delete that
line will solve the issue.
Hai
On Sun, Nov 12, 2017 at 4:51 PM, jacky zhao <jackyzhao010.gmail.com> wrote:
> Thank you for your immediately reply. The PDB file was attached below:
>
>
> 2017-11-13 0:44 GMT+08:00 Hai Nguyen <nhai.qn.gmail.com>:
>
> > thanks. Sounds like there is issue with ParmEd in parsing 1HAC.pdb.
> > Would you mind attaching your pdb file? thanks.
> >
> > Hai
> >
> > On Sun, Nov 12, 2017 at 11:03 AM, jacky zhao <jackyzhao010.gmail.com>
> > wrote:
> >
> > > Hi,
> > > I have used amber17 for a long time without any problems. Recently, I
> > used
> > > pdb4amber to prepare the pdb file for further simulation. The error
> > occurs.
> > > I have attached the error messages below.
> > >
> > > Anyone can give me some suggestions.
> > >
> > > Thank you for taking your time.
> > >
> > > Jacky
> > >
> > > [image: 内嵌图片 1]
> > > --
> > > Lei Zhao, Ph.D.
> > > International Joint Cancer Institute of the Second Military Medical
> > > University
> > > National Engineering Research Center for Antibody Medicine
> > > New Library Building 11th floor,800 Xiang Yin Road
> > > Shanghai 200433
> > > P.R.China
> > >
> > > _______________________________________________
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> > > AMBER.ambermd.org
> > > http://lists.ambermd.org/mailman/listinfo/amber
> > >
> > >
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
>
>
>
> --
> Lei Zhao, Ph.D.
> International Joint Cancer Institute of the Second Military Medical
> University
> National Engineering Research Center for Antibody Medicine
> New Library Building 11th floor,800 Xiang Yin Road
> Shanghai 200433
> P.R.China
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
>
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Received on Sun Nov 12 2017 - 16:30:02 PST
