需要一些帮助,因为我是新手。我的问题是,我们如何将 VMD 命令合并到 bash 脚本中。我试过这样做,但只要 VMD 完成,脚本就会停止。有什么建议吗?
例子:
sed -i s/t912/g 4x2ns-tra*
sed -i s/TR912/g snapshot-tra*
sed -i s/t912/g tmextract8ns-tra.txt
sed -i s/t912/g neu-restr-psp.tcl
sed -i s/t912/g restart-*
vmd -dispdev text XXX.pdb -e neu-restr-psp.tcl <--The script just stop here. It quits and return to terminal.
sed -i '/Boundary Conditions/{n;N;N;N;d}' 4x2ns-tra1.conf
sed -i '/Boundary Conditions/r cellBasisVector.dat' 4x2ns-tra1.conf
sed -i '/Boundary Conditions/{n;N;N;N;d}' 4x2ns-tra2.conf
sed -i '/Boundary Conditions/r cellBasisVector.dat' 4x2ns-tra2.conf
sed -i '/Boundary Conditions/{n;N;N;N;d}' 4x2ns-tra3.conf
sed -i '/Boundary Conditions/r cellBasisVector.dat' 4x2ns-tra3.conf
sed -i '/Boundary Conditions/{n;N;N;N;d}' 4x2ns-tra4.conf
sed -i '/Boundary Conditions/r cellBasisVector.dat' 4x2ns-tra4.conf
谢谢