AMBER Archive (2009)

Subject: [AMBER] Re: angle with ptraj

From: E.M. (pckboy_at_gmail.com)
Date: Wed Aug 19 2009 - 14:44:56 CDT


Actually I meant restraint in sander, ptraj angle measurement is not
the problem,

Thanks for the feedback

eduardo
E.M. wrote:
> Greetings.
>
> I was wondering how to implement a 3 point angle restraint, the manual
> discusses how to do dihedral angles (4 atom angle),
> but I do not know how to just do, or measure an A-B-C angle.......Is
> this achieved doing an A-A-B-C, or an A-B-B-C dihedral?
>
>
> Regards
>
> eduardo
>

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