标题: Checkpoint file doesn't want to open [打印本页] 作者Author: aitouna 时间: 2019-11-25 03:33 标题: Checkpoint file doesn't want to open 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) i get the error message : cconnectionGFCHK::readfile( Can not find file. (, 下载次数 Times of downloads: 25)
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I don't lnow what's the problem.
作者Author: pwzhou 时间: 2019-11-25 08:36
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.作者Author: aitouna 时间: 2019-11-25 18:40
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.作者Author: sobereva 时间: 2019-11-25 19:29
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.作者Author: aitouna 时间: 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 structures remain the same ?作者Author: sobereva 时间: 2019-11-26 23:37
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作者Author: aitouna 时间: 2019-11-28 07:08
Thank you very very much for the assistance.