Hi,
It would help if you gave your entire input file you are using for
cpptraj. You can also send me your topology and restart off list and I
can try to reproduce the issue.
-Dan
On Tue, Nov 10, 2020 at 1:35 AM Ikuo KURISAKI
<kurisaki.bear.kobe-u.ac.jp> wrote:
>
> Dear Ambers,
>
>
>
> Thank you for kind supports everytime.
>
> I have a question in running cpptraj.
>
>
>
> Although both my prmtop file and restrt file (ASCII format) has box
> information,
>
>
>
> * In prmtop file
>
> %FLAG BOX_DIMENSIONS
>
> %FORMAT(5E16.8)
>
> 9.00000000E+01 1.40914087E+02 1.41640791E+02 1.83700518E+02
>
>
>
> * In restrt file
>
> 135.2730000 135.9800000 176.3510000 90.0000000 90.0000000 90.0000000
>
>
>
>
>
> I got 'Warning: Box center specified but no box information'
>
> and 'center' command did not work.
>
>
>
> Is this due to version of AmberTools (I'm using AmberTools 18)?
>
> Or should I consider other problem with regard to files of mine?
>
> For example, size of system (my system has 330,000 atoms in one
> configuration.)
>
>
>
> I'm most happy if you give me any advices, suggestions.
>
>
>
> Best regards,
>
>
>
> Kurisaki
>
>
>
> ===========================================
>
>
>
>
>
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Received on Tue Nov 10 2020 - 06:30:02 PST
