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标题: VMD出现ERROR: failed on end of segment [打印本页]

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Author: zz200022 时间: 2023-8-6 12:00
标题: VMD出现ERROR: failed on end of segment
请问错误在哪
代码如下：
resetpsf
mol delete all
mol load pdb solvate_raw.pdb
set segnames [lsort -unique [[atomselect top all] get segname]]
foreach segname $segnames {
  [atomselect top "segname $segname"] writepdb solvate_$segname.pdb
}
foreach segname $segnames {
  segment $segname {
auto none
first none
last none
pdb solvate_$segname.pdb
  }
  coordpdb solvate_$segname.pdb $segname
}
writepsf solvate.psf
writepdb solvate.pdb

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