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
>
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Received on Sun Jul 25 2010 - 11:30:03 PDT
