[Pw_forum] Is geometry optimization same to MD?

[Shaofeng Wang]

Dear all,

I have a question. I want to get the solvation structure of arsenic in 
solution. So, can I get a correct structure using relax instead of md? Do I 
need to make the system charge balance?

Thanks for any comments.

Shaofeng



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Shaofeng Wang, Ph.D
Environmental Molecular Science Group
Institute of Applied Ecology, Chinese Academy of Sciences
Shenyang, 110016, China
wangshaofeng at iae.ac.cn
www.iae.cas.cn