Hello
see ntr =1 and the flags restraintmask and restraint_wt
In your case you should use restraintmask = ":*.CA & :num1-num2"
where num1 and num2 are the first and the last numbers of
cristallographic water
Germain
Urszula Uciechowska a écrit :
> Dear Amber Users,
>
> I would like to apply positional restraints on the backbone CA and the crystal waters to fix their
> Cartesian coordinates. Could somebody please help me with this?
>
> Thanks a lot in advance
> Urszula
> -----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber.scripps.edu
> To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
> to majordomo.scripps.edu
>
--
Germain Vallverdu
Laboratoire de Chimie Physique
Université Paris Sud 11
germain.vallverdu.lcp.u-psud.fr
ma page perso <http://pagesperso.lcp.u-psud.fr/vallverdu/>
01 69 15 30 38 / 06 88 59 08 87
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
to majordomo.scripps.edu
Received on Wed Oct 22 2008 - 05:09:44 PDT
