Anselm sir
Thank you for the reply
I tried already with M also.... but its showing same problem not connected
at the correct position
On Wed, Oct 20, 2021 at 3:57 PM Dr. Anselm Horn <anselm.horn.fau.de> wrote:
> Vivek,
>
> a quick guess:
> Change the carbonyl atom line entry (54) in your prep file by
> substituting the 'S' by 'M', and try using it again.
>
> Maybe this helps (I did not visualize your structure or had a closer
> look into.)
>
> Best regards,
>
> Anselm
>
> Bioinformatik | NHR.FAU
> Friedrich-Alexander-Universität Erlangen-Nürnberg
> Germany
>
>
> Am 20.10.2021 um 11:58 schrieb vivek rabha:
> > ---------- Forwarded message ---------
> > From: vivek rabha <rabhavustm96.gmail.com>
> > Date: Wed, Oct 20, 2021 at 3:24 PM
> > Subject: topology file and co-ordinate file making by amber tool
> (gaff.dat)
> > To: <amber.ambermd.org>
> >
> >
> > sir
> > I am attaching my prep file plz help me in searching where is the
> error?
> > I tried many times but it's showing the same error!
> >
> > The problem is C=O terminal group connection in CA carbon
> > Its not connected in the correct position.
> >
> > and please let me know if my questions is not clear??
> >
> >
> >
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Received on Wed Oct 20 2021 - 04:00:02 PDT
