Dear all,
I want to evaluat the effect of polarity of organic solventon chemical reaction, and I put the reactants in vacuum with an extra reaction field, which set the igb=6(vacuum) and dielc=78(an extra reaction field)in Amber input file.
Does it work to evaluat the effect of polarity of organic solvent on chemical reaction?
If not, how can I separate the effect of polarity of organic solvent on reaction?
All the best,
Tingting Wang
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王婷婷
大连理工大学工业生态与环境工程教育部重点实验室
地址:辽宁省大连市甘井子区凌工路2号 环境楼
邮编:116024
电话:183-4223-5107
Tingting Wang
Key Laboratory of Industrial Ecology and Environmental Engineering (MOE) , CHINA
School of Environmental Science and Technology, Dalian University of Technology Dalian, CHINA
116024,P. R.
Phone Number: +86 183-4223-5107
E-mail: ttwang.mail.dlut.edu.cn
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Received on Wed Apr 10 2019 - 18:30:03 PDT