Re: [AMBER] MMGBSA error

From: Indrajit Deb <biky2004indra.gmail.com>
Date: Fri, 26 Feb 2016 02:06:42 +0100

Thanks, Jason.




--------------------------------------------------------------------------------------------------------------
*Indrajit Deb*
alternate emails: indrajitdeb81.gmail.com, idbmbg_s.caluniv.ac.in
*Present Position*
International Centre for Genetic Engineering and Biotechnology (ICGEB,
Italy) SMART Fellow,
Department of Structural Chemistry and Biology of Nucleic Acids,
Institute of Bioorganic Chemistry (IBCh),
Polish Academy of Sciences (PAS).
European Center for Bioinformatiocs and Genetics (ECBiG) Campus (
R
oom: 2.6.28
).
Z. Noskowskiego Str. 12/14.
Poznan 61-704, Poland​.
Phone: +48616653042, ​Personal Mobile: +48662513522​

*Previous Position*​
Ph.D Student,
Department of Biophysics, Molecular Biology and Bioinformatics, University
of Calcutta (CU), 92 APC Road, Kolkata - 700009, India. Phone:
+913323508386 (extn. 329, 321), Fax: +913323519755. Personal Mobile:
+919239202278

On Fri, Feb 26, 2016 at 2:01 AM, Jason Swails <jason.swails.gmail.com>
wrote:

> On Thu, Feb 25, 2016 at 7:27 PM, Indrajit Deb <biky2004indra.gmail.com>
> wrote:
>
> > Dear Users,
> >
> > I found, if I use use_sander=1 in the general section, then problem
> solved.
> >
> > Can anyone please explain why this ?
> >
>
> ​nab does not support torsions with a periodicity of 7, but sander does.
>
> HTH,
> Jason
>
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
> _______________________________________________
> 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 Feb 25 2016 - 17:30:05 PST
Custom Search