[gmx-users] Has omega -180 also in proteins?

András Ferenc WACHA wacha.andras at ttk.mta.hu
Tue Jul 4 15:43:56 CEST 2017

Dear Surya,

I think -180 and 180 degrees are equivalent, i.e. 181 should be
represented as -179 and -181 as +179.

Best regards,

Andras Wacha

On 07/04/2017 02:11 PM, Seera Suryanarayana wrote:
> Dear  gromacs users,
> I have done simulation for 100ns and I analyzed many properties as part of
> my work. I also calculated the omega dihedral  angle and I got the values
> around +180 and -180 degrees. When I present the work in lab they
> questioned about  the omega values of  PROLINE. It should be around
> +180(trans) degrees, 0 (cis) degrees. But I got omega values around -180
> degrees for PRO. Kindly tell me whether I am wrong. I have used gmx chi for
> my analysis.
> Thanks in advance
> Surya
> Graduate student
> India.

András Ferenc Wacha, PhD
research fellow, CREDO instrument responsible

Biological Nanochemistry Research Group

Institute of Materials and Environmental Chemistry
Research Centre for Natural Sciences
Hungarian Academy of Sciences (RCNS HAS)
Magyar tudósok körútja 2.
H-1117 Budapest, Hungary
Phone: +36-1-382-6427
Web: http://bionano.ttk.mta.hu, 
CREDO SAXS instrument: http://credo.ttk.mta.hu

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