添加周期性水环境 package require solvate solvate ubq.psf ubq.pdb -t 5 -o ubq wb -t (override with any of the following) -o (data will be written to output.psf/output.pdb) 添加离子中和多余电荷 autoionize
-psf
file.psf
-pdb
file.pdb [options] 可以直…
程序VMD和CMDER
VMD 1.9.3 for Microsoft Windows 2000/XP/Vista/7/8/10 (32-. https://www.ks.uiuc.edu/Development/Download/download.cgi cmder.zip https://github.com/cmderdev/cmder/releases/
cmder
设置bash load source
which ls which sh cd /mnt/d/Data/xx 去掉…
1、打开VMD main上Extensions中的TkConsole这是VMD的控制命令区域。
2、围绕x轴旋转90:rotat x by 90 (或者rotat x to 90)
3、原子颜色设置动力学键:用fortran编写成lammps文件,可以识别原子类型,比如系统原子类型是1和2&#x…