Dear David:
The exact file of SeON1.mol2 is presented in attachment.
You cen reproduce my problem with SeON1.mol2 by using parmchk and parmchk2.
Thanks very much.
At 2017-03-16 20:50:56, "David Case" <david.case.rutgers.edu> wrote:
>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 - 07:30:02 PDT
