[gmx-users] charge on protein

[Heikki Käsnänen]

Hello Teje,

how about adding some counter ions to your solvent box? This could be 
done with gromacs tool called genion.

Best regards,

Heikki

4tejender wrote:
> hello users
>  i m new to gromacs can anyone tell me it is advisable to simulate protein with high charge.does it effect reliablity of the dyanamics. if yes what is a proper method to reduce the charge. i m getting waring for a non zero charge of -15.000e during processing protein file.
> 
> thanks in advance
> teje
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-------------------------
Heikki Käsnänen
B.Sc (Pharm.)
M.Sc (Pharm.) Student
Pyöräkatu 9B31
70600 Kuopio
tel. +358503793602