Did you get my original response the first time you asked this question?
If not, I suggest making sure that emails to the Amber list are not being
filtered to spam.
Here was my response:
First suggestion is unrelated -- upgrade to AmberTools 14. There are
many improvements and bug fixes, and Amber 11 is no longer supported.
Secondly -- the Fe ion has already been parametrized (at least in its 2+
oxidation state). As long as you load the correct ion parameters, you
don't need to generate new ones. [Note -- you need AmberTools 14 to get
access to these parameters]
HTH,
Jason
On Fri, Jan 30, 2015 at 4:01 AM, Pragya Priyadarshini <pragya.imtech.res.in>
wrote:
>
>
> Hi,
>
> I have a very basic question. I am using Amber11 could I use MCPB to
> build parameter for Fe ion.?
> Any suggestion will be highly appreciated.
>
> Thanks
>
> --
> Pragya Priyadarshini
> PhD scholar
> C/o Dr. Balvinder Singh
> Bioinformatics Center (G N R P C)
> Institute of Microbial Technology-CSIR
> Sector 39A, Chandigarh-160036, INDIA
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Fri Jan 30 2015 - 03:30:03 PST
