Hi dear Karl. Thanks a lot for your answer.
The problem is when I try to save prmtop and inpcrd files, appears the
next message:
Couldn't find angle and dihedrals params.
The file was not saved.
I knew There was a red - data base in
http://q4md-forcefieldtools.org
which contained parameters for urea, but it don't exist anymore.
But I am going to Check the paper you recomend me.
Thanks a lot again.
Have a nice Day.
Regards
El jue., nov. 19, 2015 1:25, Karl Kirschner <k.n.kirschner.gmail.com>
escribió:
> Hello Carlos,
>
> In your email, you don't state what problem you are having, or any error
> messages that received. You need to explicitly define the problem you are
> having, and then other on the listserve can provide feedback.
>
> From a very quick Google search, I know of at last one paper (DOI:
> 10.1007/s00894-010-0650-7) that has parameters for urea that is based on
> the Gaff force field. Perhaps that will help.
>
> Bests,
> Karl
>
> On Thu, Nov 19, 2015 at 1:39 AM, Carlos Romero <carlos.rom.74he.gmail.com>
> wrote:
>
> > hi dear amber users.
> >
> > I am looking for urea parameters. I have done my pdb file and loaded
> > leaprc.urea params, but it doesn't work. I revised the leaprc.urea file
> and
> > just have the next information.
> >
> > Parameters of N - C - N angle and corresponding force const.
> > MASS
> >
> > BOND
> >
> > ANGLE
> > N - C - N 71.3 112.6 Quantum Calculation and parmcal guess.
> >
> > DIHE
> >
> > IMPROPER
> >
> > NONBON
> >
> > Does anyone coul help me please.
> >
> > I am using ubuntu 14.04 and ambertools 14
> >
> > Regards
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
>
>
>
> --
> Karl. N. Kirschner, Ph.D.
> Research Associate
> Bonn-Rhein-Sieg University of Applied Sciences
> Grantham-Allee 20, 54757 Sankt Augustin, Germany
> _______________________________________________
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> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Thu Nov 19 2015 - 07:00:03 PST
