Thanks!
Adding HOH=TP3 did it I think.
I also loaded gaff2 and leaprc.water.tip3p
Thank you
Yuliana
On Wed, Jan 17, 2018 at 10:05 PM, Hai Nguyen <nhai.qn.gmail.com> wrote:
> hi,
>
> I have not tested but can you try following this?
> http://archive.ambermd.org/201608/0163.html
>
> Hai
>
> On Thu, Jan 18, 2018 at 12:12 AM, Yuliana Bosken <ydavi002.ucr.edu> wrote:
>
> > Hi,
> > It's my first time using Amber 16 and I am not sure how to parameterize
> > crystal water. I tried the leaprc.water.tip3p, I tried gaff2 and I also
> > tried frcmod.ionsjc_tip3p. None of them worked and I can't save the
> prmtop
> > file
> >
> > FATAL: Atom .R<HOH 457>.A<O 1> does not have a type.
> > FATAL: Atom .R<HOH 458>.A<O 1> does not have a type.
> > FATAL: Atom .R<HOH 459>.A<O 1> does not have a type.
> > FATAL: Atom .R<HOH 460>.A<O 1> does not have a type.
> > FATAL: Atom .R<HOH 461>.A<O 1> does not have a type.
> > Failed to generate parameters
> > Parameter file was not saved.
> >
> > Could you please help me with this.
> > Thank you
> > --
> > Yuliana Bosken
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Yuliana Bosken
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Jan 18 2018 - 05:00:02 PST
