Re: simulation box

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Fri May 20 2011 - 11:25:36 CDT

On Fri, May 20, 2011 at 12:11 PM, PAUL NEWMAN <paulclizana_at_gmail.com> wrote:
> Thanks for the information; but are there any other way using just the
> commands inside NAMD.

paul,

your question is not very clear.

you have to explain in more detail as to what
commands exactly you are referring to and
what it is exactly that you want to different and why.

please reformulate your question and your
chances of getting a useful answer will improve.

cheers,
    axel.

> Thanks
>
> 2011/5/20 Marek Maly <marek.maly_at_ujep.cz>
>>
>> Hi,
>> I am not an expert on NAMD (I am AMBER user) but one alternative for you
>> might be to create your simul. box outside for example using PACKMOL
>>
>> http://www.ime.unicamp.br/~martinez/packmol/
>>
>> Best,
>>
>>   Marek
>>
>>
>>
>> Dne Fri, 20 May 2011 17:39:48 +0200 PAUL NEWMAN <paulclizana_at_gmail.com>
>> napsal/-a:
>>
>>> Hi,
>>> I would like to know how to set up the size of the simulation box in
>>> NAMD. I
>>> want to set up X Y and Z. I dont want to use the one give by NAMD
>>>
>>> Thanks for the help
>>>
>>> Paul
>>>
>>>
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>>
>>
>> --
>> Tato zpráva byla vytvořena převratným poštovním klientem Opery:
>> http://www.opera.com/mail/
>
>
>
> --
> Cheers,
>
> Paul CARDENAS LIZANA
>
> 謝謝你的幫忙
> I appreciate your help. Thanks!
> Les agradezco la ayuda. Gracias!
>
>

-- 
Dr. Axel Kohlmeyer
akohlmey_at_gmail.com  http://goo.gl/1wk0
Institute for Computational Molecular Science
Temple University, Philadelphia PA, USA.

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