[gmx-users] ions, reaction field, integration step

[Santi Esteban Martin]

Dear list

I would like to be advised in the following question:

1)when dealing with non neutral protein with few net charge (1 or 2)
should be included ions?
if one avoid ions one might have more "homogeneous system", isn't it?
and that could be favourable for simulations with 
i.e. reaction field (?)

2)playing with ions, it is good idea twin cut-off plus reation
field(0.9/1.5 and erf 78)?

3)dummy hydrogens plus heavy hydrogen atoms are enought to use 
integration of 4 fs ?  which is the most important feature we may loose 
with such an approach ?

4)when seeking integration step of 7 fs, one should use 
-dummy both for hydrogens and aromatics (and heavyh to get more stable
simualtions) but how one can perform it ? I mean, should one use both
commands -dummy hydrogens and -dummy aromatics at once ? 

I really could not get more knowledge from the previous reported mails.

Thanks list.

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