[gmx-users] Addition of ions in vacuum simulations

OZGE ENGIN OZENGIN at KU.EDU.TR
Thu Oct 18 08:32:57 CEST 2007


Hi all,

I am simulating a charged peptide in vacuum. I want to neutralize my system by using genion command,and as expected it asks me a continuous solvent group for the replacement; however, I have no solvents. 

How can I add ions to my system if I am in vacuum? or Is it necessary to add ions while performing simulations in vacuum?

Thanks in advance

Ozge 




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