On Wed, Jun 22, 2016 at 9:22 AM, Ruth Helena Tichauer <rhtichau.laas.fr>
wrote:
> Hello David,
>
> Thanks a lot for your reply.
>
> As you've suggested, I've used the process_mdout.perl to retrieve
> information from the mdout.ubiquitin.save file. For this one, the
> summary.VOLUME file contains both the elapsed time and the volume, but
> the summary.DENSITY file contains only the elapsed time..
>
>
I can reproduce your issue above (able to get summary.VOLUME but
summary.DENSITY does not have Density data).
You can just use "grep Density"
$ grep Density ../mdout.ubiquitin.save
Density =
1.0149
Density =
1.0149
Density =
1.0149
Density =
1.0149
Density =
1.0149
Density =
1.0150
Density =
1.0150
Density =
1.0150
Density =
1.0150
Density =
1.0150
Density =
1.0150
Density =
0.0000
I am not familiar with Perl so can't not give you further advice.
Hai
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Received on Wed Jun 22 2016 - 10:30:02 PDT
