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gaussian
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Gaussian Tutorial
work by yanjun
* red：/home/zhangyj/rotation_work/NMR_chemical_shift
* 目录里有3个目录animo_acid/，small_molecule/和scripts/，对应着氨基酸和小分子两部分的工作和脚本
Installation
To the administrator only: Installation
Usage
Add the following line to your .bashrc
source /home/usr/share/g16/g16a03avx2.sh
or to .cshrc
source /home/usr/share/g16/g16a03avx2.csh
gaussian.txt · Last modified: 2025/11/29 05:44 by zhangyk
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