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

  • Tang Ziqian
  • Tang Ziqian's Avatar Topic Author
  • Offline
  • New Member
  • New Member
More
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.

Please Log in to join the conversation.

More
7 years 1 month ago #320 by jshah46545
No problem, Tang. I will generate the fragment files locally and will let you know if I need anything.

Please Log in to join the conversation.

  • Tang Ziqian
  • Tang Ziqian's Avatar Topic Author
  • Offline
  • New Member
  • New Member
More
7 years 1 month ago #321 by Tang Ziqian
Professor Jindal,I have sent related files to you through e-mail.May they help you.And I am looking forward to your kind reply.

Please Log in to join the conversation.

More
7 years 1 month ago #322 by jshah46545
Tang,
I see that you are using partial charges, but there is no 'Charge_Style' specified in the input file. Could you run a simulation with this keyword and associated options and let us know?

Please Log in to join the conversation.

  • Tang Ziqian
  • Tang Ziqian's Avatar Topic Author
  • Offline
  • New Member
  • New Member
More
7 years 1 month ago #323 by Tang Ziqian
Thank you,Professor Jindal.I have change my input file and let it run.If there is any problem,I will let you know.

Please Log in to join the conversation.

Time to create page: 0.115 seconds