Forcematch Error

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叶雨薇

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May 21, 2020, 8:20:39 AM5/21/20
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Dear developers 

    There an error occurred when run csg_fmatch program.

  coarse-grained bead is bigger than half the box. 

what that means? I should modify which file. I don't find anything related with 'the box'? 


  Could you help me solve this issue?

  Thank you very much!

Christoph Junghans

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May 21, 2020, 8:38:48 AM5/21/20
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On Thu, May 21, 2020, 06:20 叶雨薇 <4533...@qq.com> wrote:
Dear developers 

    There an error occurred when run csg_fmatch program.

  coarse-grained bead is bigger than half the box. 

what that means? I should modify which file. I don't find anything related with 'the box'? 

It means, that the boundary box of your trajectory is too small to perform the mapping to the coarse-grained representation.

 If you are working on a single molecule in vacuum just increase the boundaries box, otherwise you will need to add more solvent.

Christoph


  Could you help me solve this issue?

  Thank you very much!

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