计算化学公社

标题: How to freeze a part of molecule? [打印本页]

作者
Author:
阿di达思    时间: 2019-3-4 14:10
标题: How to freeze a part of molecule?
本帖最后由 阿di达思 于 2020-2-13 19:49 编辑

How to freeze a part of molecule(in my case tow sheets of montmorillonite clay ) when performing calculations in-CASTP-M$  software?please see the attached photo.




作者
Author:
sobereva    时间: 2019-3-4 16:26
Please check built-in tutorial of M$ visualizer, you will find corresponding description and example




欢迎光临 计算化学公社 (http://ccc.keinsci.com/) Powered by Discuz! X3.3