On Thu, Mar 16, 2017, 杨满意 wrote:
> I mean that if I get a SeON.frcmod file with the note, “ATTN,
> need revision”, then I can munual change the "ATTN, need
> revision" items.
> I have tested, if use parmchk rather than parmchk2 to deal with the same
> mol2 file (SeON.frcmod) I can get the SeON.frcmod file with the note,
> “ATTN, need revision”
> Why an empty file for parmchk2
I don't know the answer. Can you (re-)post the exact files you used for this
so that we can reproduce the problem?
Sorry that I missed the difference between parmchk and parmchk2 in your
earlier post.
...thx...dac
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Received on Thu Mar 16 2017 - 06:00:03 PDT
