Are there other files with similar names?
Sounds like a good bet in any case, though I wonder what the 'jc'
in the name stands for.
For ions in solution even the difference between Na+ and K+ may
be impossible to detect, let alone the difference between
parameterizations of Na+. Still, it is nice to be correct,
and you might find the answer in a tutorial.
> thanks that solved it but I loaded the frcmod.ionsjc_tip3p is this the
> correct one for tip3p - the header of the file states it is the parameters
> for ewald and tip3p which I want to use so I hope this is the file to use.
> On Sun, Jul 25, 2010 at 8:01 PM, Bill Ross <ross.cgl.ucsf.edu> wrote:
> > You have the Na+ Unit loaded, but not the parm.dat (or frcmod)
> > having the parameters for Na+ vdw. I don't know what file
> > they are in, but it may be in /amber10/dat/leap/parm/ since
> > we see /amber10/dat/leap/parm/parm10.dat (or possibly in
> > /amber10/dat/leap/lib/). With that in mind you might see a .dat
> > or .frcmod file with a name including 'ion' - grep Na+ to
> > determine if it is there and try loading that.
> >
> > Bill
> >
> > _______________________________________________
> > 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
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sun Jul 25 2010 - 12:00:03 PDT
