how to write the answer file for expert mode of dammin?

Ab initio modelling: DAMMIF, DAMMIN, GASBOR, MONSA
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change
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how to write the answer file for expert mode of dammin?

#1 Post by change » 2018.04.25 18:01

I have tried many times, but my "expert mode" still can not work as batch mode, instead of the interactive mode. I just want to change the dummy atom radius.

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AL
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Re: how to write the answer file for expert mode of dammin?

#2 Post by AL » 2018.04.26 12:03

On linux please first run dammin with tee:

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tee answers.txt | dammin
then reuse answers.txt:

Code: Select all

dammin < answers.txt

change
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Re: how to write the answer file for expert mode of dammin?

#3 Post by change » 2018.04.27 03:40

Your reply works well, thank you!

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