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#1 Re: Multiwfn and wavefunction analysis » increasing points ESP figure » 2023-08-06 20:38:17

ok Thank you
Another question...
When I plot the ESP map (RGB), most of the molecule is dark blue. How can I adjust the range of the Red/Blue in VMD?

#2 Re: Multiwfn and wavefunction analysis » increasing points ESP figure » 2023-08-03 23:03:50

Thank you for your answer.
I followed the tutorial on YouTube to plot the reference figures (https://www.youtube.com/watch?v=QFpDf_GimA0). However, instead of using the scripts, that are Windows functions (like move instead of mv), I typed the commands on Terminal. When I typed the first command (Multiwfn 1.fchk -ESPrhoiso 0.001 < ESPìso.txt), it ran several steps. One of these steps is the cubgen. Is there a way to increase the points during cubgen run?

#3 Multiwfn and wavefunction analysis » increasing points ESP figure » 2023-08-03 19:46:44

jxlneto
Replies: 5

Dear,

I'm trying to plot the Electrostatic potential surface.
I'm using a Linux OS on a computer without a graphical interface (and without vmd). I'm following the tutorial on the YouTube channel. Is there a way I can increase the points during cubegen run? When I use cubegen by myself, the command is cubegen.... 300 -h, but I think the Multiwfn uses less points...


Thank you for your help

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