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Thank you very much Prof. Tian Lu.
I have few more questions. There are many windows batch files such as ESPiso, ESPext etc. In these batch files, abc.fch acts as an input file to draw colored ESP. Can we modify these scripts to load .pdb file? I have surfanalysis.pdb, vtx.pdf abc.pdb files. So, Kindly suggest me how to do?
Dear all,
I am trying to generate a colored ESP isosurface. I have used orca 4.1.2 to run my calculation. As mentioned in the forum, I have generated an out.txt file that contains positions of all surface vertices using the command "orca_vpot h2o.gbw h2o.scfp surfptpos.txt out.txt". Now, I put the path of the out.txt file in the Multiwfn window. Then again an interactive session appears.
Could you please direct me on how to proceed further so that I can have a colored ESP plot?
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