Thanks David.
On Tue, Mar 28, 2017 at 10:31 PM, David Case <david.case.rutgers.edu> wrote:
> On Sat, Mar 25, 2017, Abhilash J wrote:
> >
> > Please find the attached pdb file i used to generate the prepin file.
>
> Your file has a very short distance (1.28 Ang) between O18 and HN1A:
> this
> is confusing antchamber, which is trying to make a bond between these two
> atoms. Try to move (rotate) the NH2 group out of the way, so it doesn't
> clash
> with O18.
>
> ....good luck....dac
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Mar 30 2017 - 03:30:03 PDT
