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标题: VMD利用timeline计算蛋白二级结构出现application error错误 [打印本页]

作者
Author:
Tyzhang    时间: 2021-12-26 22:33
标题: VMD利用timeline计算蛋白二级结构出现application error错误
gromacs生成的gro文件和压缩后的xtc轨迹文件导入vmd后,利用extensions-analysis-timeline然后calculate sec structure,就会出现以下错误。请问是我哪里操作出现了问题?谢谢!
cannot use geometry manager pack inside .progressDialog.top which already has slaves managed by gridcannot use geometry manager pack inside .progressDialog.top which already has slaves managed by grid
    while executing
"pack $l -in $d.top -side left -expand 1 -padx 3m -pady 3m"
    (procedure "progressBox" line 39)
    invoked from within
"progressBox 0"
    (procedure "calcDataStruct" line 31)
    invoked from within
"calcDataStruct"
    (in namespace inscope "::timeline" script line 1)
    invoked from within
"::namespace inscope ::timeline {calcDataStruct; postCalc;}"
    (menu invoke)





作者
Author:
sobereva    时间: 2021-12-26 23:34
说明用的VMD版本。如果不是1.9.3,用1.9.3
如果还不行,换其它机子也不行的话,用GROMACS的do_dssp干这事

作者
Author:
Tyzhang    时间: 2021-12-27 10:32
sobereva 发表于 2021-12-26 23:34
说明用的VMD版本。如果不是1.9.3,用1.9.3
如果还不行,换其它机子也不行的话,用GROMACS的do_dssp干这事
...

好的,谢谢sob老师解答!




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