On Mon, May 13, 2019, Sadaf Rani wrote:
>Warning: Atom type (C.2) is not in PARMCHK.DAT; using default values
> for improper_flag [0], group_id [0], and equivalent_flag [0].
This is only a warning, but it could be causing the later segfault.
Try not using sybyl atom types (things like C.2), and see if that helps.
(That is, don't use the "-at sybyl" option in your antechamber runs.
Basically, parmchk is not set up to run with sybyl atom types, but error
checking is rather minimal in these programs.
...good luck....dac
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Received on Tue May 14 2019 - 06:00:02 PDT
