我已经按照membrane proteins tutorial做出了KCSA.pdb文件,但是在实行tcl语句:foreach S{A B C D}{set seg [atomselect top "segname $S and chain C"]$seg writepdb seg$S.pdb $seg delete的时候,却出现了:can't read "S": no such variable
“unknown residue type k”
1k4c.pdb 中的钾离子的name核residue name都是“K”,而charmm top中的钾离子则是“POT”
问题就出在这里。
你可以先在1k4c.pdb中删掉钾离子,避免这些麻烦。
或者alias一下
pdbalias residue K POT
pdbalias atom POT K POT
现在却出现了这个问题:
(VMD) 1 % foreach S { A B C D } { set seg [atomselect top "segname $S and chain C"] $seg writepdb seg$S.pdb $seg delete }
can't read "seg": no such variable
>Main< (VMD) 2 %