AW: Re: [AMBER] can't get the final "snapshot_statistics.out" file

From: Alexander Metz <alexander_metz2000.yahoo.de>
Date: Mon, 15 Mar 2010 11:52:50 +0000 (GMT)

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 > _______________________________________________ AMBER mailing list AMBER@ambermd.org http://lists.ambermd.org/mailman/listinfo/amber __________________________________________________ Do You Yahoo!? Sie sind Spam leid? Yahoo! Mail verfügt über einen herausragenden Schutz gegen Massenmails. http://mail.yahoo.com
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Received on Mon Mar 15 2010 - 05:00:03 PDT
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