Dear David,
meanwhile I found out that it is
>set default oldparmtopformat (manual page 69)
'set default gibbs on' does not work and gives the error messages i
described in the previous mail.
MAy I ask why gibbs was not incorporated in the new amber release anyway? I
have tried the new TI feature of sander in amber8 and I have the impression
it is not as 'sophisticated' as the old gibbs..., but I havent tried it in
much detail yet.
will there be a new version of gibbs?
Thanks for your help.
Carsten
----- Original Message -----
From: "David A. Case" <case.scripps.edu>
To: <amber.scripps.edu>
Sent: Tuesday, April 06, 2004 11:31 PM
Subject: Re: AMBER: new leap with old gibbs
> On Tue, Apr 06, 2004, Carsten Detering wrote:
> >
> > what is the proper usage in xleap/amber8 for the 'set default gibbs on'
> > before the saveamberparmpert command, to use the old gibbs for TI?
>
> set default gibbs on
>
> works for me. Can you double check your typing? Also, note if you are
going
> to "edit" a unit, you will have to enter the perturbed status in the
"unused"
> column; it might be easier to use amber7 leap for gibbs.
>
> ...good luck...dac
> -----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber.scripps.edu
> To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
>
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Tue Apr 06 2004 - 23:53:00 PDT
