Re: [Apbs-users] Dielectric maps in APBS: option activated or not??

[Nathan B. <nat...@ma...>]

Great!

Thanks,

Nathan

On Sep 28, 2006, at 6:30 AM, pradeep Nair wrote:

>
> Sorry for bothering you with the previous mail. I figured out the  
> problem and that option is working well..
>
> Thanks,
> Pradeep
>
>
>
> Dear Users,
>
>         Could you please clarify whether dielectric (and kappa)  
> maps in APBS are activated
> or not?.
>
>         I was trying to test this facility. Initially I did a  
> simulation with zero ion
> concentration and saved kappa and dielectric maps . Then I made all  
> the elements in the
> dielectric maps identically equal to one and the kappa map was left  
> as is( was trying to see
> whether the o/p potential changes by a factor of 78.5, ie  
> simulating an ion in air and
> water). But surprisingly, the output potential was exactly the same  
> as the previous one!.
>
>         Could anyone please tell me what was wrong in the  
> procedure?. I am using APBS 0.4 (
> All the three dielectric maps and the kappa map was  provided as  
> input for the
> simulations).
>
> Thanks a lot in advance,
> Pradeep
>
>
>
>
>
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Center for Computational Biology, Washington University in St. Louis
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