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 - 03:30:02 PDT
