There is an atom for which atom type is not correctly assigned (N22). The
atom type was assigned to "DU" and parmchk2 does not how to handle it.
Please manually assign the atom type and then run parmck2 again.
Good luck
Junmei
On Tue, Feb 21, 2017 at 9:03 AM, Nikolay N. Kuzmich <nnkuzmich.gmail.com>
wrote:
> Dear Amber users,
>
> preparing necessary files for simulation of a protein with modified serine
> residue,
> I was checking the presense of parameters via parmchk2 application just as
> it is
> described in the "Simulating the Green Fluorescent Protein" tutorial.
>
> parmchk2 -i Ser630_bound.prepin -f prepi -o frcmod.adf -a Y -p \
> $AMBERHOME/dat/leap/parm/parm10.dat
>
> The own generated prepin file was employed.
> And then I got message "Segmentation fault".
> I have found the similar report about this error in the archive via google
> but still hardly know what to do.
> Is it a problem with my prepin file?
>
> What should I pay attention to in it?
> And what can be wrong there?
>
> Thank you in advance,
> Nick
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Received on Thu Mar 02 2017 - 08:30:03 PST
