标题: 在使用molclus调用gaussian进行优化时出现报错 [打印本页] 作者Author: ncepu-stt 时间: 2023-5-18 18:59 标题: 在使用molclus调用gaussian进行优化时出现报错 Loading geometry 1 from the inputted trajectory file
Generating gau.gjf...
Running Gaussian: "g09" < gau.gjf > gau.out
sh: g09: command not found
Error: This Gaussian task did not perform geometry optimization at all! Please check if you omitted "opt" keyword or there is any problem in the template file
Press ENTER button to exit program
出现这种报错应该怎么解决？
作者Author: sobereva 时间: 2023-5-18 19:12
g09: command not found
提示得明明白白，要有基本的根据报错解决问题的能力，明摆着Gaussian没装好，g09命令没法用