Li,
If you are running pbsa itself, use the istrng variable... I think it may
have a different name under mmpbsa though.
-Wes
fmiccg only controls the scaling / relaxation constant which is used to
fine tune convergence. You
> Thank you, Wes. And which parameter is used to set the salt concentration?
> The p_fmiccg?
> Li
>
> On Tue, Dec 10, 2013 at 8:11 AM, <wmsmith.uci.edu> wrote:
>
>> Li,
>> The only difference between the helmholtz and poisson equation is an
>> additional constant term. In the case of the linearized PB equation, if
>> salt concentration is set to zero, its just poisson's equation. If salt
>> concentration is greater than zero, then the linearized PB is actually
>> just a helmholtz equation.
>> To have iccg solve helmoholtz equation, you just set the salt
>> concentration to something greater than zero
>> -Wes
>> > Hi, all:
>> > i'm trying to compute the Helmholtz equation using the pb_iccg. I'm
>> > wondering if any one knows which parameter is set to control the
>> constant
>> > wavenumber.
>> > Thanks a lot!
>> >
>> > --
>> > Li Xiao
>> > University of California, Irvine
>> > Email: xiaoli19871216.gmail.com
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>> >
>>
>>
>>
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>
>
> --
> Li Xiao
> University of California, Irvine
> Email: xiaoli19871216.gmail.com
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Received on Tue Dec 10 2013 - 10:30:02 PST
