[gmx-users] to add counter ions based on potential
David van der Spoel
spoel at xray.bmc.uu.se
Fri Sep 12 20:40:41 CEST 2008
Jochen Hub wrote:
> sarbani chattopadhyay wrote:
>>
>> Hi everybody,
>> I want to add counter ions based on potential and not randomly.
>> I will be very grateful if anyone can guide me through the command "genion" for this.
>
> As far as I know, that has not been implemented yet. It is a good idea,
> though.
It has been implemented but it has been broken for more than five years
now :(.
>
> Jochen
>
>
>
>> I tried with "-random no" but it didn't work.
>>
>> Thanks in advance
>> Sarbani
>>
>>
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>
--
David van der Spoel, Ph.D., Professor of Biology
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. Fax: +4618511755.
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