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longwei1221

铁虫 (小有名气)

[求助] packmol运行时候提示无法打开文件

在linux里面具体错误如下:  
Packmol must be run with: packmol < inputfile.inp

  Userguide at: www.ime.unicamp.br/~martinez/packmol

  Reading input file... (Control-C aborts)
  Seed for random number generator:     19128787
  Output file: mixture.pdb
  Reading coordinate file: water.pdb
  Reading coordinate file: urea.pdb

  ERROR: Could not open file.
         Could not find file: urea.pdb
         Please check if all the input and structure
         files are in the current directory or if the
         correct paths are provided.
然后下载了windows版本,编译得到了exe文件,运行时候也有error:can not open file
请问是怎么回事啊?我都编译成功了到啊,输入文件是用下载到例子,没有修改的
谢谢!
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longwei1221

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哦,刚解决了,缺少一个ure.pdb文件,我找到后重新运行就可以了,估计windows里面也算这个原因

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2楼2012-11-18 10:22:28
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yaya8424

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引用回帖:
2楼: Originally posted by longwei1221 at 2012-11-18 10:22:28
哦,刚解决了,缺少一个ure.pdb文件,我找到后重新运行就可以了,估计windows里面也算这个原因

我也是不能编译,您说的这个文件在哪里找呀
3楼2019-08-14 11:29:35
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