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Checkpoint file doesn't want to open

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aitouna

发布时间: 2019-11-25 03:33

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Hello Everybody I performed some optimization calculations using gaussian software on my desktop, and i copied the .LOG and .CHK files to my laptop, and when i tried to open the checkpoint file (.chk ...

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aitouna 发表于 Post on 2019-11-28 07:08:53

Thank you very very much for the assistance.

sobereva 发表于 Post on 2019-11-26 23:37:55

aitouna 发表于 2019-11-25 22:35
All i need from the .chk file is the structures of the transition stat and product, so is the the st ...

Yes, .fchk file contains molecular structure information as .chk file

aitouna 发表于 Post on 2019-11-25 22:35:51

All i need from the .chk file is the structures of the transition stat and product, so is the the structures remain the same ?

sobereva 发表于 Post on 2019-11-25 19:29:44

Strictly speaking, .fchk file doesn't contain all informations recorded in the .chk file. During converting to .fchk by formchk, some unimportant information in .chk will be lost.

aitouna 发表于 Post on 2019-11-25 18:40:14

Dear pwzhou,
Thank you for your reply, but, is the file .fchk has the same property as .chk file ? I mean that all the informations in .chk file still the same in the .fchk file.

pwzhou 发表于 Post on 2019-11-25 08:36:50

CHK file is binary file and not for communication between different computer. So, please first transfer the CHK file to .fchk using the formchk command and then you can open the .fchk file with Gaussview on any computer.

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