Hi,
I think you need to load the frcmod file containing this parameter for
TIP4PEW, i.e.:
loadAmberParams frcmod.tip4pew
-Dan
On Tue, May 7, 2013 at 6:58 AM, Jonathan Gough
<jonathan.d.gough.gmail.com> wrote:
> I'm not sure what is going wrong.
>
> I can successfully build the inpcrd and prmtop for a protein-nucleotide
> complex (with and without MG+2) without tip4pew. (nucleotide parameters via
> antechamber).
>
> However, when I solvate with TIP4PEW (including the frcmod.ionsjc_tip4pew
> and without MG I get the following message:
>
> Could not find bond parameter for: EP - OW
>
> prior to this I also get the message:
> (using default radius 1.500000 for EPW)
>
>
> Using MG (and the parameters from
> http://archive.ambermd.org/201202/0429.html)
>
> i get the same thing plus:
> 1-4: angle 19745 19751 duplicates bond ('triangular' bond) or angle
> ('square' bond)
>
> can someone point me in the right direction as to what is wrong? Did I
> miss something when creating my files in antechamber?
>
> thanks,
> Jonathan
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--
-------------------------
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) 585-9119 (Fax)
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Received on Tue May 07 2013 - 07:30:02 PDT
