Thanks a lot
Reo
On Mon, Oct 28, 2013 at 7:34 PM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
> Hi,
>
> On Mon, Oct 28, 2013 at 7:58 AM, Subrata Paul <paul.subrata34.gmail.com>
> wrote:
> > For atom: .R<Na+ 16>.A<Na+ 1> Could not find type: Na+
>
> This issue has come up several times on the list (see e.g.
> http://archive.ambermd.org/201204/0666.html etc). You need to load an
> ion parameter set prior to adding ions. For example, to load the Joung
> & Cheatham ion parameters for TIP3P:
>
> loadamberparams frcmod.ionsjc_tip3p
>
> See section 2.9 (Ions) of the AmberTools 13 manual for further details.
>
> Hope this helps,
>
> -Dan
>
> --
> -------------------------
> Daniel R. Roe, PhD
> Department of Medicinal Chemistry
> University of Utah
> 30 South 2000 East, Room 201
> Salt Lake City, UT 84112-5820
> http://home.chpc.utah.edu/~cheatham/
> (801) 587-9652
> (801) 585-6208 (Fax)
>
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>
--
*With Best Regards
Subrata
PhD Student
Dept of Chemistry.
IIT G
*
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Received on Mon Oct 28 2013 - 08:00:02 PDT
