AMBER Archive (2004)

Subject: Re: AMBER: metal atoms in Xleap

From: Atilio Anzellotti (aanzellotti_at_mail2.vcu.edu)
Date: Fri Aug 20 2004 - 13:43:51 CDT

Hello,

 As requested please find attached the leap.log file. I am working
specifically with Platinum.

Many Thanks.

Atilio.

-------------------
> Hi Atilio,
>
> Please send your leap.log file to the list so we can better assess
the
> problem.
>
> Thanks,
>
> Rhonda
>
>
> On Thu, 19 Aug 2004, Atilio Anzellotti wrote:
>
> > Dear sir(s),
> >
> > I am trying to model some DNA-transition metal interactions, but
> > xleap is not recognizing the metal atom. So far I have chosen
> > leaprc.gaff as a source and I used the command: mods =
loadamberparams
> > frcmod.xxx, to load a valid force field for the metal ion. But
when I
> > select the complex, xleap cannot assign the atom type nor the
charge
> > to the metal.
> >
> > I will appreciate your help on this regard, and also all the
> > information regarding working with metal ions in Amber that you
can
> > provide me.
> >
> > Thanks and Best Regards.
> >
> > Atilio Anzellotti.
> >
----------------------------------------------------------------------
-
> > The AMBER Mail Reflector
> > To post, send mail to amber_at_scripps.edu
> > To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu
> >
>
>
----------------------------------------------------------------------
-
> The AMBER Mail Reflector
> To post, send mail to amber_at_scripps.edu
> To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu
>
>


  • application/octet-stream attachment: leap.log

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu