[gmx-users] the influence of the frozen wall during the adsorption
zhangmm at mail.iggcas.ac.cn
Wed May 9 14:05:31 CEST 2018
Recently, I am doing a simulation of graphite adsorption on methane. In the NVT ensemble, I freeze all graphite molecules. Because the freezing graphite may cause the cold-wall effect according to the previous studies, is the simulation result still credible ?
Chao Yang, Beijing , CHINA
University of China Academic of Science (UCAS)
MAIL: zhamgmingmin15 at mails.ucas.ac.cn
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