| 7:06:08 AM PDT - Fri, Oct 26th 2012 |
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The format of rst file?
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Hi,
I am trying to print MM region information using the same command as you, i.e. "xyz foomm fooqm“, but it does not work.
In NWChem 5.1.1 user documentation, the chapter 38 provides us some file formats, including segment file, sequence file etc, but it does not tell us the rst file format. There is no doubt that rst file is very important. I think it should include the coordinate information of MM region. As you say, "The subsequent restart files (sys.002.rst sys.003.rst) are identical except for the QM region." This means what?
Jingbo
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