[gmx-users] a question

[yangkun at dlut.edu.cn]

I am performing GROMACS simulations and I only want to do energy minimization. 
So if I don't add box and water in protein in vacuum, I want to know whether I 
need to neutralise charge (using command 'genion'). If I ignore charge and 
then do MD, the result of MD is correct or wrong. 
Thank you! 


yangkun 
2004.11.15 


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