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..
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri May 18 2012 - 10:00:05 PDT
