yes!...it seems to be picking up the new values and works fine...
Asmi..
On Fri, May 18, 2012 at 10:19 PM, Jesper Sørensen <jesorensen.ucsd.edu>wrote:
> Hi Asmi,
>
> No I think you can leave ions08.lib as it is because it doesn't contain
> the actual LJ parameters that you are changing.
> Again you may not even have to comment them out in the other case, because
> when you load the frcmod, you should override the parameters so you use the
> new ones.
> You can always check if the value that is put in the prmtop file is
> correct.
>
> Best,
> Jesper
>
> On May 18, 2012, at 4:26 AM, Asmita Gupta wrote:
>
> > Also, as Jesper told that some lines have to be commented in parm10.dat
> for
> > implementing new params, then ion08.lib file which is loaded
> automatically
> > by ff12SB (amber 12) and consists of Magnesium information, does that
> also
> > should be deleted or commented??
> >
> > Asmi..
>
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Received on Fri May 18 2012 - 12:00:02 PDT
