[gmx-developers] Generalized Born

Ilya Chorny ichorny at gmail.com
Thu May 14 02:58:16 CEST 2009


It actually is implemented in the CVS versions.

On Wed, May 13, 2009 at 5:39 PM, Mark Abraham <Mark.Abraham at anu.edu.au>wrote:

> Ilya Chorny wrote:
>
>> Hi,
>>
>> When I run GB I get the following message.
>>
>> Can't do GB electrostatics; the forcefield is missing values for
>> atomtype radii, or they might be zero
>>
>>
>> Where are these values supposed to be. I'm using OPLS and VERSION
>> 4.0.99_development_20090425
>>
>
> GB is not implemented in 4.0.x
>
> Mark
>
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-- 
Ilya Chorny Ph.D.
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