I'll also point out that there's some comparatively recent Mg+2 parameters
in the Bryce database (2013?), if you feel those are sufficient for what
you want to use.
Best,
Kenneth
On Mon, Jun 8, 2015 at 7:49 AM, David A Case <case.biomaps.rutgers.edu>
wrote:
> On Mon, Jun 08, 2015, ROOPALI VERMA wrote:
> >
> > I want to simulate a complex bound with ADP AND Mg2+ ions.For this i want
> > to create prmtop and crd files. i have created parameters file for ADP
> and
> > protein, but won't be able to create parameters file for Mg ions.i have
> > used antechamber but it shows following error:
>
> Divalent ions optimized for various water models are already a part of the
> standard distribution. Please consult section 3.9 ("Ions") in the 2015
> Amber
> Reference Manual.
>
> ...dac
>
>
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Received on Mon Jun 08 2015 - 07:30:02 PDT
