The variable to add salt effect for PB in mm_pbsa.pl is ISTRNG. Note that
the units of ISTRNG are in mM in the PB section, whereas the units for
SALTCON in the GB section are in M.
Good luck!
-Bill
On Mon, May 3, 2010 at 4:53 AM, Xioling Chuang <xioling_c.hotmail.com>wrote:
>
> Dear All,
>
> I am using AMBER9. To calculate binding energy using mm_pbsa.pl script, I
> can use variable "SALTCON" for GB method. However, my question is that how
> can we add salt effect in PB method, what variable?
>
> Thank you very much in advance for your anwer.
>
> Best Regards,
>
> Xioling
>
>
>
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Received on Mon May 03 2010 - 04:00:03 PDT
