That's not in the copy of gaff.dat that I have...
On Thu, Jul 8, 2010 at 6:02 PM, M. Shahid <mohammad.shahid.gmail.com> wrote:
> Hi,
> yes its in gaff, but don't know why parmchk didn't add it....
> (leap/parm/gaff.dat:cz 12.01 0.360 Sp2 carbon in
> guanidine group)
>
> Adding this entry below the MASS section worked.
> So i think now i've to check if there's a cz in frcmod files, add that
> entry
> to the mass section :)
>
> Best regards,
>
> --
> Shahid.
>
> On Thu, Jul 8, 2010 at 10:13 PM, Jason Swails <jason.swails.gmail.com
> >wrote:
>
> > Shouldn't cz also be in gaff? Especially since gaff refers to cz in
> > several
> > parts...
> >
> > On Thu, Jul 8, 2010 at 4:06 PM, David A. Case <case.biomaps.rutgers.edu
> > >wrote:
> >
> > > On Thu, Jul 08, 2010, M. Shahid wrote:
> > > >
> > > >
> > > > No mass defined for non-bond atom type: cz - skipping
> > > >
> > > > while the frcmod file contains this atom type:
> > > >
> > > > ================================================
> > > > remark goes here
> > > > MASS
> > > >
> > > > BOND
> > >
> > > Add a "cz" entry to the MASS section of your frcmod file; that is the
> > > meaning
> > > of the phrase "no mass defined for ... atom type cz".
> > >
> > > ...good luck...dac
> > >
> > >
> > > _______________________________________________
> > > AMBER mailing list
> > > AMBER.ambermd.org
> > > http://lists.ambermd.org/mailman/listinfo/amber
> > >
> >
> >
> >
> > --
> > Jason M. Swails
> > Quantum Theory Project,
> > University of Florida
> > Ph.D. Graduate Student
> > 352-392-4032
> > _______________________________________________
> > 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
>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Jul 08 2010 - 15:30:08 PDT
