[gmx-users] Diferent ensambles for monolayers dynamics

[Hector Mrz-Seara Monne]

thanks for all this coments because all of the were really a nightmare 
for me.

hector.

andre at qt.dq.ufscar.br wrote:

>On Wed, 1 Dec 2004, Pedro Alexandre Lapido Loureiro wrote:
>
>  
>
>>>only one more short question the
>>>presence of vacuum doesn't affect in the result of the surface tension
>>>as is calculated in gromacs as it uses de z box size,Lz?
>>>      
>>>
>>Yes, you are right, it does affect, as long as surface tension equals
>>
>>Lz/n(Pzz -(Pxx+Pyy/2)).
>>    
>>
>
>but pressure tensor takes 1/V into account so that Lz may be as
>large as you want it to be, it will not affect surface tension.
>
>  
>
>>Regards.
>>
>>Pedro.
>>    
>>
>
>best regards,
>
>andre'
>
>/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/
>
>    Dr. Andre' Farias de Moura
>
>/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/
>
>  Laboratorio de Quimica Teorica
>Universidade Federal de Sao Carlos
>     Sao Carlos - SP - Brasil
>
>/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/
>
>        Endereco Atual
>
>    Grupo de Quimica Quantica
>Instituto de Quimica de Sao Carlos
>    Universidade de Sao Paulo
>    Sao Carlos - SP - Brasil
>    Telefone: 55-16-3373-8055
>
>/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/
>
>
>  
>
>>--
>>Pedro Alexandre Lapido Loureiro
>>Laborat?rio de F?sica Biol?gica
>>Instituto de Biof?sica
>>UFRJ
>>Brasil
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