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Re: Generate conformers - write to file does nothing [message #991 is a reply to message #988]

Thu, 09 July 2020 10:10

nbehrnd
Messages: 233
Registered: June 2019

Senior Member

Hello Paul,

starting with the liquid_crystal.dwar file attached below, and using the parameters
shown in the screen photo below

index.php?t=getfile&id=241&private=0

the newly written conformers_test.dwar contains multiple models. Not 16 which was
set as the maximum number, but at least four. May you share a minimal example,
including the parameters you use, leading to the empty .dwar file?

Norwid

Attachment: liquid_crystal.dwar
(Size: 1.36KB, Downloaded 425 times)
Attachment: conformers_test.png
(Size: 40.54KB, Downloaded 941 times)
Attachment: conformers_test.dwar
(Size: 2.47KB, Downloaded 466 times)

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[Message index]

		Generate conformers - write to file does nothing By: Paul on Wed, 08 July 2020 21:01
		Re: Generate conformers - write to file does nothing By: nbehrnd on Thu, 09 July 2020 00:58
		Re: Generate conformers - write to file does nothing By: Paul on Thu, 09 July 2020 02:46
		Re: Generate conformers - write to file does nothing By: nbehrnd on Thu, 09 July 2020 10:10
		Re: Generate conformers - write to file does nothing By: Paul on Thu, 09 July 2020 18:23
		Re: Generate conformers - write to file does nothing By: thomas on Fri, 10 July 2020 13:22

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