[AMBER] Re: angle with ptraj

From: E.M. <pckboy.gmail.com>
Date: Wed, 19 Aug 2009 20:44:56 +0100

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
>


_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Aug 19 2009 - 23:33:58 PDT
Custom Search