thank you
On Tue, May 14, 2019 at 1:56 PM David A Case <david.case.rutgers.edu> wrote:
> 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 Wed May 15 2019 - 11:30:02 PDT
