You need to load the frcmod for the ion parameters based on the water model
you want to use. For example, for TIP3P water, you need to load
frcmod.ionsjc_tip3p via the command:
loadamberparams frcmod.ionsjc_tip3p
HTH,
Jason
On Tue, May 31, 2011 at 7:17 PM, Zheng <zheng042003.gmail.com> wrote:
> Dear Sir/Madam,
>
> I have beening following the Amber tutorial:
>
> http://www.rosswalker.co.uk/tutorials/amber_workshop/Tutorial_four_orig/
> and using XLEaP to implement the force field parameters for several
> non-standard residues and to create the prmtop and inpcrd files.
>
> The *prmtop and inpcrd* files were created successfully using:
> saveamberparm test test.prmtop test.inpcrd
> after adding water box; however, after adding ions using:
> addions test Cl- 3
> XLeaP failed to create the two files, and it gave the following error:
> * For atom: .R<Cl- 2716>.A<Cl- 1> Could not find type: Cl-
> For atom: .R<Cl- 2717>.A<Cl- 1> Could not find type: Cl-
> For atom: .R<Cl- 2718>.A<Cl- 1> Could not find type: Cl-*
>
> According to XLEaP-->"list", Cl- is already defined in the standard force
> fieid that I'm using: $AMBERHOME/dat/leap/cmd/leaprc.ff10. Why XLEaP can
> NOT find type Cl-?
>
> Any help will be greatly appreciated.
>
> Shirley
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>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Tue May 31 2011 - 21:00:02 PDT
