Determinant not equal box volume For box 2 This error occurred in subroutine Com

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7 years 1 month ago #313 by jshah46545
Dear Tang,

Thank you for bringing this to our attention. Could you send us the fragment files so that we can try to reproduce the error and trace its source?

Thank you.
Jindal

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7 years 1 month ago #315 by Tang Ziqian
Thank for your reply,Jindal.I have posted the fragment files and input files.
Attachments:

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7 years 1 month ago #316 by Tang Ziqian
Thank for your reply,Jindal.The following is my files.

File Attachment:

File Name: chlorine_2...3-11.mcf
File Size:1 KB

File Attachment:

File Name: chlorine_2...3-11.mcf
File Size:1 KB

File Attachment:

File Name: choline_20...3-11.mcf
File Size:9 KB

File Attachment:

File Name: CO2.mcf
File Size:1 KB

File Attachment:

File Name: urea.mcf
File Size:3 KB
Attachments:

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7 years 1 month ago #317 by Tang Ziqian
The following is my xyz file and ff file,because I cannot post the fragment files.

File Attachment:

File Name: chlorine.xyz
File Size:0 KB

File Attachment:

File Name: choline.xyz
File Size:1 KB

File Attachment:

File Name: co2.xyz
File Size:0 KB

File Attachment:

File Name: urea.xyz
File Size:0 KB

File Attachment:

File Name: chlorine.txt.xyz
File Size:0 KB

File Attachment:

File Name: choline.txt.xyz
File Size:7 KB

File Attachment:

File Name: CO2.txt.xyz
File Size:0 KB

File Attachment:

File Name: urea.txt.xyz
File Size:2 KB


The above are my xyz files and ff files.Because of the limit of the files uploaded,I changed the ff files into the kind of txt.
Thank you again.

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7 years 1 month ago - 7 years 1 month ago #318 by jshah46545
Tang,

Thanks. Is it possible for you to share fragment files via dropbox or Google docs? You can send me a link at This email address is being protected from spambots. You need JavaScript enabled to view it.. Thanks.
Last Edit: 7 years 1 month ago by jshah46545.

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7 years 1 month ago #319 by Tang Ziqian
Thanks for your kind reply.Because of the limit of google in China.I am wondering if you can give me your e-mail address,and then I can share you with my fragments files.I am looking forward for your kind help.Thank you again.

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