Hi.
Have a look here ...
http://archive.ambermd.org/200601/0012.html
The mysystem_statistics.in should contain something similar to following:
tet_com.all.out 1-236
tet_rec.all.out 1-118
tet_lig.all.out 119-236
________________________________
Von: geyan <geyan.big.ac.cn>
An: AMBER Mailing List <amber.ambermd.org>
Gesendet: Montag, den 15. März 2010, 9:35:50 Uhr
Betreff: Re: Re: [AMBER] can't get the final "snapshot_statistics.out" file
first,thanks for your kind help.
I have looked through the mm_pbsa_statistics.pl script. But I still don't konw how to set the exact parameters to get the final snapshot_statistics.out file if I have had the three out file.
> snapshot_com.all.out
> snapshot_rec.all.out
> snapshot_lig.all.out
so could you tell me how to set them?Thanks a lot.
2010-03-15
geyan
发件人： Billy Miller III
发送时间： 2010-03-14 22:23:00
收件人： AMBER Mailing List
抄送：
主题： Re: [AMBER] can't get the final "snapshot_statistics.out" file
You should be able to use the mm_pbsa_statistics.pl script in
$AMBERHOME/src/mm_pbsa/. This is the script that mm_pbsa.pl should be using
to calculate the final snapshot_statistics.out file. This should work if
there were no other problems with any of the other calculations.
Good luck!
-Bill Miller III
2010/3/13 geyan <geyan.big.ac.cn>
> Dear all-amber users,
> I need your help. When I performed the MM_PBSA analysis,everything seemed
> OK before I got the final "snapshot_statistics.out" file. So can I calculate
> by myself with the three separate following files?How to do?
> snapshot_com.all.out
> snapshot_rec.all.out
> snapshot_lig.all.out
>
> Thank you for your kind help!Thanks a lot!
>
> 2010-03-14
>
>
>
> geyan
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
>
http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Mon Mar 15 2010 - 05:00:03 PDT
