I might be wrong here, but the bias files are generated at the end of the
calculation. Yours was interrupted before the end due to time limit.
Fabrício
2017-07-13 18:45 GMT-03:00 Qinghua Liao <scorpio.liao.gmail.com>:
> Hello Feng,
>
> Thanks very much for your reply! The input and output files are in the
> Dropbox:
>
> https://www.dropbox.com/s/1b9gl9te86xvjci/dialanine-2d.zip?dl=0
>
>
> All the best,
> Qinghua
>
> On 07/13/2017 11:24 PM, Feng Pan wrote:
> > Hi, Qinghua
> >
> > The suffix should not matter, can you send me your mdin and mdout files
> > to check?
> >
> > Feng
> >
> > On Wed, Jul 12, 2017 at 8:37 AM, Qinghua Liao <scorpio.liao.gmail.com>
> > wrote:
> >
> >> Hello All,
> >>
> >> I tried to run adaptively biased MD simulations with multiple walkers on
> >> the dialanine system from the tutorial with Amber 16:
> >> http://ambermd.org/tutorials/advanced/tutorial31/
> >>
> >> I did not change anything of the input files, the simulation ran well, I
> >> can get the output for monitor_file. But I found one problem that I did
> >> not get the output files of umbrella_file and wt_umbrella_file: bias.nc
> >> and wt_bias.nc.
> >>
> >> And I found that the files for umbrella_file and wt_umbrella_file in the
> >> test examples are all empty. Could someone give some tips here?
> >>
> >> One more question, is suffix of nc necessary for the files, or any
> >> suffix should be OK? Thanks a lot!
> >>
> >>
> >> All the best,
> >> Qinghua
> >>
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> >> http://lists.ambermd.org/mailman/listinfo/amber
> >>
> >
> >
>
>
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Received on Thu Jul 13 2017 - 18:00:02 PDT
