[gmx-users] Partial charges

[rose rahmani]

Hi,

I used QM for calculating atoms partial charges for ZnS nanotube but it has
totally -0.04 charge. I want to study the interaction of this nanotube with
some biomolecules by AMBER99SB force field.
Is it wrong to calculate these interaction in presence of -0.04 charge by
this force field? Should i neglect it?
Would you please help me or give me a suggestion?

Best regards