Thanks Jason!
Qiong
On Sun, May 20, 2012 at 9:35 PM, Jason Swails <jason.swails.gmail.com>wrote:
> This is because the dec_verbose variable was introduced to the &cntrl
> namelist in Amber 12. It is used to reduce the size of intermediate mdout
> files (which can be huge).
>
> So for AmberTools 1.5, dec_verbose was just used inside MMPBSA.py to
> filter out printed values.
>
> HTH,
> Jason
>
> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Candidate
> 352-392-4032
>
> On May 20, 2012, at 1:01 AM, Qiong Zhang <qiong.zhang.qzh.gmail.com>
> wrote:
>
> > Removing the dec_verbose variable from the mdin files did help with the
> > "error in reading namelist cntrl". Yet I did not quite understand it in
> > that AMBRE11/AT1.5 works fine with dec_verbose variable...
> > Qiong
> >
> >
> > On Sat, May 19, 2012 at 10:55 AM, Qiong Zhang <qiong.zhang.qzh.gmail.com
> >wrote:
> >
> >> Hi Bill !
> >> Sorry, there is something new.
> >> When I removed the dec_verbose variable from the mdin files and rerun it
> >> with the -use-mdins, at the end of
> >> _MMPBSA_complex_gb.mdout.0 file, it got this error:
> >>
> >> " Unit 30 Error on OPEN: _MMPBSA_dummycomplex.inpcrd.1"
> >> The one you mentioned in a previous mail. So how shall I fix this
> problem
> >> please?
> >> Thanks!
> >> Qiong
> >>
> >>
> >>
> >> On Sat, May 19, 2012 at 9:55 AM, Bill Miller III <brmilleriii.gmail.com
> >wrote:
> >>
> >>> Qiong,
> >>>
> >>> One more attempt. Can you remove the dec_verbose variable from the
> >>> _MMPBSA_gb_decomp_com.mdin, _MMPBSA_gb_decomp_rec.mdin, and
> >>> _MMPBSA_gb_decomp_lig.mdin files and then re-run MMPBSA.py with the
> >>> -use-mdins flag? This is the only potential problem that I can see with
> >>> the
> >>> cntrl namelist at the moment. And my theory is that this was added as a
> >>> variable in sander for Amber 12, but was not in Amber 11. And that's
> why
> >>> you are getting this error, but I was not.
> >>>
> >>> Let me know if that works or not.
> >>>
> >>> -Bill
> >>>
> >>> On Fri, May 18, 2012 at 11:00 PM, Qiong Zhang <
> qiong.zhang.qzh.gmail.com
> >>>> wrote:
> >>>
> >>>> Hi Bill,
> >>>> Thank you for the files. I did what you suggested. Unfortunately, with
> >>> your
> >>>> mdin files, I still got this sander problem saying "error in reading
> >>>> namelist cntrl". Not knowing why this happened...
> >>>> Many thanks for your help. :-)
> >>>> Regards,
> >>>> Qiong
> >>>>
> >>>> On Fri, May 18, 2012 at 8:20 PM, Bill Miller III <
> brmilleriii.gmail.com
> >>>>> wrote:
> >>>>
> >>>>> So according to your error message, sander is having a problem
> reading
> >>>> the
> >>>>> sander input file written by MMPBSA.py. Unfortunately, I can't see
> >>> where
> >>>>> the problem is. The input file being written by my version of
> >>> MMPBSA.py
> >>>> is
> >>>>> slightly different, but works fine for me. I have attached the actual
> >>>>> sander input files to this e-mail. Try using those by utilizing the
> >>>>> -use-mdins flag for MMPBSA.py.
> >>>>>
> >>>>> MMPBSA.py -i mmgbsa.in -cp 9nd-35w.top -rp 9nd.top -lp 35w.top -y
> >>>>> 9nd-35w.mdcrd -use-mdins
> >>>>>
> >>>>> Note that you also will not want to use the -O flag in the command
> >>> since
> >>>>> that will obviously remove those files before the calculation. You
> >>> will
> >>>>> also need to switch which prmtop corresponds to the receptor and
> >>> ligand
> >>>>> from how you had it compared to how I used it. Good luck and I hope
> >>> this
> >>>>> works for you.
> >>>>>
> >>>>> -Billy
> >>>>>
> >>>>> On Fri, May 18, 2012 at 5:37 PM, Qiong Zhang <
> >>> qiong.zhang.qzh.gmail.com
> >>>>>> wrote:
> >>>>>
> >>>>>> Here it is.
> >>>>>> In my case, the calculation of complex contribution is not
> >>> finished...
> >>>>>> Qiong
> >>>>>>
> >>>>>> On Fri, May 18, 2012 at 5:06 PM, Bill Miller III <
> >>>> brmilleriii.gmail.com
> >>>>>>> wrote:
> >>>>>>
> >>>>>>> I did see the CalcError message. It following the message that I
> >>>>>> previously
> >>>>>>> showed about the _MMPBSA_dummycomplex.inpcrd.1 missing file.
> >>>>>>>
> >>>>>>> Beginning GB calculations with
> >>>>>>> /Users/bmiller/Source/Amber_git_HPC/amber/bin/sander
> >>>>>>> calculating complex contribution...
> >>>>>>> calculating receptor contribution...
> >>>>>>>
> >>>>>>> Error opening unit 30: File "_MMPBSA_dummyreceptor.inpcrd.1" is
> >>>>>> missing
> >>>>>>> or unreadable
> >>>>>>> CalcError: /Users/bmiller/Source/Amber_git_HPC/amber/bin/sander
> >>>> failed
> >>>>>> with
> >>>>>>> prmtop 9nd.top!
> >>>>>>> Exiting. All files have been retained.
> >>>>>>>
> >>>>>>> Can you attach your entire _MMPBSA_complex_gb.mdout.0 file in an
> >>>>> e-mail?
> >>>>>>>
> >>>>>>> -Bill
> >>>>>>>
> >>>>>>> On Fri, May 18, 2012 at 3:57 PM, Qiong Zhang <
> >>>>> qiong.zhang.qzh.gmail.com
> >>>>>>>> wrote:
> >>>>>>>
> >>>>>>>> I got this file _MMPBSA_dummyreceptor.inpcrd produced and the
> >>>> program
> >>>>>>>> stopped during the calculation of complex contribution
> >>>>>>>> (_MMPBSA_complex_gb.mdout.0).
> >>>>>>>>
> >>>>>>>> Qiong
> >>>>>>>>
> >>>>>>>> On Fri, May 18, 2012 at 3:52 PM, Qiong Zhang <
> >>>>>> qiong.zhang.qzh.gmail.com
> >>>>>>>>> wrote:
> >>>>>>>>
> >>>>>>>>> I did not see this error - Error opening unit 30: File
> >>>>>>>>> "_MMPBSA_dummyreceptor.inpcrd.1" is missing or unreadable.
> >>>>>>>>> But did you see sander error I mentioned above please?
> >>>>>>>>> Qiong
> >>>>>>>>>
> >>>>>>>>>
> >>>>>>>>>
> >>>>>>>>> On Fri, May 18, 2012 at 3:46 PM, Bill Miller III <
> >>>>>>> brmilleriii.gmail.com
> >>>>>>>>> wrote:
> >>>>>>>>>
> >>>>>>>>>> I ran the calculation and got the following error message
> >>>> written
> >>>>> to
> >>>>>>> the
> >>>>>>>>>> screen:
> >>>>>>>>>>
> >>>>>>>>>> Error opening unit 30: File
> >>> "_MMPBSA_dummyreceptor.inpcrd.1"
> >>>> is
> >>>>>>>> missing
> >>>>>>>>>> or unreadable
> >>>>>>>>>>
> >>>>>>>>>> Did you see something like this, also? Something similar was
> >>>> also
> >>>>> at
> >>>>>>> the
> >>>>>>>>>> end of the mdout file.
> >>>>>>>>>>
> >>>>>>>>>> Once I fixed this bug the calculation ran just fine for me.
> >>> Let
> >>>> me
> >>>>>>> know
> >>>>>>>> if
> >>>>>>>>>> this is actually your problem and I will let you know how to
> >>> fix
> >>>>> it.
> >>>>>>>>>>
> >>>>>>>>>> -Bill
> >>>>>>>>>>
> >>>>>>>>>> On Fri, May 18, 2012 at 3:14 PM, Qiong Zhang <
> >>>>>>> qiong.zhang.qzh.gmail.com
> >>>>>>>>>>> wrote:
> >>>>>>>>>>
> >>>>>>>>>>> The files have been sent to you. Thanks!
> >>>>>>>>>>> Qiong
> >>>>>>>>>>>
> >>>>>>>>>>> On Fri, May 18, 2012 at 3:02 PM, Bill Miller III <
> >>>>>>>> brmilleriii.gmail.com
> >>>>>>>>>>>> wrote:
> >>>>>>>>>>>
> >>>>>>>>>>>> Can you send me the files (prmtops, 1-2 frame trajectory,
> >>>> and
> >>>>>> your
> >>>>>>>>>> input
> >>>>>>>>>>>> file) and I will try them and see if I can reproduce the
> >>>>> error?
> >>>>>>>>>>>>
> >>>>>>>>>>>> -Bill
> >>>>>>>>>>>>
> >>>>>>>>>>>> On Fri, May 18, 2012 at 2:56 PM, Qiong Zhang <
> >>>>>>>>>> qiong.zhang.qzh.gmail.com
> >>>>>>>>>>>>> wrote:
> >>>>>>>>>>>>
> >>>>>>>>>>>>> Thanks for the suggestion. But you are right. Tried
> >>>> setting
> >>>>>>>>>>> use_sander=1,
> >>>>>>>>>>>>> the same problem still appeared.
> >>>>>>>>>>>>> Qiong
> >>>>>>>>>>>>>
> >>>>>>>>>>>>> On Fri, May 18, 2012 at 2:49 PM, Bill Miller III <
> >>>>>>>>>>> brmilleriii.gmail.com
> >>>>>>>>>>>>>> wrote:
> >>>>>>>>>>>>>
> >>>>>>>>>>>>>> Try setting use_sander=1 in your MMPBSA.py input
> >>> file.
> >>>> The
> >>>>>>>>>>>> decomposition
> >>>>>>>>>>>>>> analysis can only be run with the sander executable
> >>>> (e.g.
> >>>>> it
> >>>>>>>>>> cannot
> >>>>>>>>>>> be
> >>>>>>>>>>>>> done
> >>>>>>>>>>>>>> with mmpbsa_py_energy). By setting use_sander=0 in
> >>> your
> >>>>>> input
> >>>>>>>>>> file,
> >>>>>>>>>>> you
> >>>>>>>>>>>>> may
> >>>>>>>>>>>>>> be trying to get MMPBSA.py to use mmpbsa_py_energy
> >>> for
> >>>> the
> >>>>>>>> energy
> >>>>>>>>>>>>>> calculations instead of using sander like it should.
> >>>>>>>>>>>>>>
> >>>>>>>>>>>>>> I am not convinced this is the issue since sander is
> >>>>>> mentioned
> >>>>>>>> in
> >>>>>>>>>> the
> >>>>>>>>>>>>>> output message, but either way your input file is
> >>>>>>> contradicting
> >>>>>>>>>> what
> >>>>>>>>>>>> the
> >>>>>>>>>>>>>> program should be doing with a decomposition
> >>> calculation
> >>>>>>> anyway.
> >>>>>>>>>>>>>>
> >>>>>>>>>>>>>> -Bill
> >>>>>>>>>>>>>>
> >>>>>>>>>>>>>>
> >>>>>>>>>>>>>> On Fri, May 18, 2012 at 2:43 PM, Qiong Zhang <
> >>>>>>>>>>>> qiong.zhang.qzh.gmail.com
> >>>>>>>>>>>>>>> wrote:
> >>>>>>>>>>>>>>
> >>>>>>>>>>>>>>> In fact, in the command line I used
> >>>>>>> $AMBERHOME/bin/MMPBSA.py,
> >>>>>>>>>> so it
> >>>>>>>>>>>>> won't
> >>>>>>>>>>>>>>> go wrong. And in the output it clearly shows the
> >>>>> MMPBSA.py
> >>>>>>>>>>>> executables
> >>>>>>>>>>>>>>> (mmpbsa_py_energy,cpptraj) are from AT12. And
> >>> sander
> >>>> is
> >>>>>> from
> >>>>>>>>>>> Amber11.
> >>>>>>>>>>>>>>> What else should I check please? Thanks!
> >>>>>>>>>>>>>>> Qiong
> >>>>>>>>>>>>>>>
> >>>>>>>>>>>>>>> On Fri, May 18, 2012 at 2:35 PM, Bill Miller III <
> >>>>>>>>>>>>> brmilleriii.gmail.com
> >>>>>>>>>>>>>>>> wrote:
> >>>>>>>>>>>>>>>
> >>>>>>>>>>>>>>>> If you type `which MMPBSA.py` does the MMPBSA.py
> >>>>>>> executable
> >>>>>>>>>> from
> >>>>>>>>>>>>>>>> AmberTools12 appear correctly? And have you
> >>> applied
> >>>>> all
> >>>>>>>>>> bugfixes
> >>>>>>>>>>>> for
> >>>>>>>>>>>>>>>> AmberTools12?
> >>>>>>>>>>>>>>>>
> >>>>>>>>>>>>>>>> -Bill
> >>>>>>>>>>>>>>>>
> >>>>>>>>>>>>>>>> On Fri, May 18, 2012 at 2:29 PM, Qiong Zhang <
> >>>>>>>>>>>>>> qiong.zhang.qzh.gmail.com
> >>>>>>>>>>>>>>>>> wrote:
> >>>>>>>>>>>>>>>>
> >>>>>>>>>>>>>>>>> Dear Amber users,
> >>>>>>>>>>>>>>>>> I compiled the newest Ambertools12 under my
> >>> home
> >>>>>>>> directory.
> >>>>>>>>>>> And I
> >>>>>>>>>>>>>> need
> >>>>>>>>>>>>>>> to
> >>>>>>>>>>>>>>>>> use Amber11 in another directory in the
> >>> cluster.
> >>>> In
> >>>>>>> order
> >>>>>>>> to
> >>>>>>>>>>> use
> >>>>>>>>>>>>> the
> >>>>>>>>>>>>>>>> Amber
> >>>>>>>>>>>>>>>>> executables from amber11/bin, but to use the
> >>>>>> AmberTools
> >>>>>>> 12
> >>>>>>>>>>>>>> executables
> >>>>>>>>>>>>>>>> from
> >>>>>>>>>>>>>>>>> amber12/bin, I followed the instructions by
> >>> Jason
> >>>> on
> >>>>>>> this
> >>>>>>>>>> page
> >>>>>>>>>>>>>>>>>
> >>>>>>>>>>>>>
> >>>>>>>>
> >>>> http://jswails.wikidot.com/installing-ambertools-12-and-older-amber
> >>>>>>>>>>>>>>>>> export AMBERHOME=/home/user/amber12
> >>>>>>>>>>>>>>>>> export
> >>>>>>>>>> PATH=$PATH:/home/user/amber12/bin:/home/user/amber11/bin
> >>>>>>>>>>>>>>>>>
> >>>>>>>>>>>>>>>>> The input file is as follows:
> >>>>>>>>>>>>>>>>>
> >>>>>>>>>>>>>>>>> &general
> >>>>>>>>>>>>>>>>> search_path=1,startframe=1, endframe=1,
> >>>> interval=1,
> >>>>>>>>>> verbose=2,
> >>>>>>>>>>>>>>>>> strip_mask=":Cl-", entropy=0, use_sander=0,
> >>>>>>>>>>>>>> netcdf=0,debug_printlevel=1
> >>>>>>>>>>>>>>>>> /
> >>>>>>>>>>>>>>>>> &gb
> >>>>>>>>>>>>>>>>> igb=2
> >>>>>>>>>>>>>>>>> /
> >>>>>>>>>>>>>>>>> &decomp
> >>>>>>>>>>>>>>>>> idecomp=1, print_res="1-2",dec_verbose=2
> >>>>>>>>>>>>>>>>> /
> >>>>>>>>>>>>>>>>>
> >>>>>>>>>>>>>>>>> With search_path=1, the program did find the
> >>>> sander,
> >>>>>> but
> >>>>>>>>>> ended
> >>>>>>>>>>>>> with a
> >>>>>>>>>>>>>>>>> sander error:
> >>>>>>>>>>>>>>>>>
> >>>>>>>>>>>>>>>>> *CalcError: /lap/amber/11.0.17_AT1.5/bin/sander
> >>>>> failed
> >>>>>>>> with
> >>>>>>>>>>>> prmtop
> >>>>>>>>>>>>>>>>> ../prmtop2/9nd-35w.top*
> >>>>>>>>>>>>>>>>>
> >>>>>>>>>>>>>>>>> And at the end of file
> >>> _MMPBSA_complex_gb.mdout.0,
> >>>>> it
> >>>>>>> has:
> >>>>>>>>>>>>>>>>>
> >>>>>>>>>>>>>>>>> Here is the input file:
> >>>>>>>>>>>>>>>>>
> >>>>>>>>>>>>>>>>> File generated by MMPBSA.py
> >>>>>>>>>>>>>>>>> &cntrl
> >>>>>>>>>>>>>>>>> ncyc=0, cut=999.0, nsnb=99999, gbsa=2,
> >>>>>>>>>>>>>>>>> ntb=0, dec_verbose=2, imin=5,
> >>>>>>>>>>>>>>>>> idecomp=1, extdiel=80.0, igb=2,
> >>>>>>>>>>>>>>>>> surften=0.0072,
> >>>>>>>>>>>>>>>>> /
> >>>>>>>>>>>>>>>>> Residues considered as REC
> >>>>>>>>>>>>>>>>> RRES 2 36
> >>>>>>>>>>>>>>>>> END
> >>>>>>>>>>>>>>>>> Residues considered as LIG
> >>>>>>>>>>>>>>>>> LRES 1 1
> >>>>>>>>>>>>>>>>> END
> >>>>>>>>>>>>>>>>> Residues to print
> >>>>>>>>>>>>>>>>> RES 1 2
> >>>>>>>>>>>>>>>>> END
> >>>>>>>>>>>>>>>>> END
> >>>>>>>>>>>>>>>>> * error in reading namelist cntrl*
> >>>>>>>>>>>>>>>>>
> >>>>>>>>>>>>>>>>> If I commented out the decomp part in the input
> >>>>> file,
> >>>>>> it
> >>>>>>>>>> works
> >>>>>>>>>>>>> fine.
> >>>>>>>>>>>>>>> And
> >>>>>>>>>>>>>>>>> there is no problem if Amber11 and
> >>> Ambertools1.5
> >>>>> under
> >>>>>>> the
> >>>>>>>>>> same
> >>>>>>>>>>>>>>> directory
> >>>>>>>>>>>>>>>>> were used.
> >>>>>>>>>>>>>>>>>
> >>>>>>>>>>>>>>>>> Could you please suggest what might be wrong
> >>> here?
> >>>>>>> Thanks!
> >>>>>>>>>>>>>>>>>
> >>>>>>>>>>>>>>>>> Qiong
> >>>>>>>>>>>>>>>>> _______________________________________________
> >>>>>>>>>>>>>>>>> AMBER mailing list
> >>>>>>>>>>>>>>>>> AMBER.ambermd.org
> >>>>>>>>>>>>>>>>>
> >>> http://lists.ambermd.org/mailman/listinfo/amber
> >>>>>>>>>>>>>>>>>
> >>>>>>>>>>>>>>>>
> >>>>>>>>>>>>>>>>
> >>>>>>>>>>>>>>>>
> >>>>>>>>>>>>>>>> --
> >>>>>>>>>>>>>>>> Bill Miller III
> >>>>>>>>>>>>>>>> Quantum Theory Project,
> >>>>>>>>>>>>>>>> University of Florida
> >>>>>>>>>>>>>>>> Ph.D. Graduate Student
> >>>>>>>>>>>>>>>> 352-392-6715
> >>>>>>>>>>>>>>>> _______________________________________________
> >>>>>>>>>>>>>>>> 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
> >>>>>>>>>>>>>>>
> >>>>>>>>>>>>>>
> >>>>>>>>>>>>>>
> >>>>>>>>>>>>>>
> >>>>>>>>>>>>>> --
> >>>>>>>>>>>>>> Bill Miller III
> >>>>>>>>>>>>>> Quantum Theory Project,
> >>>>>>>>>>>>>> University of Florida
> >>>>>>>>>>>>>> Ph.D. Graduate Student
> >>>>>>>>>>>>>> 352-392-6715
> >>>>>>>>>>>>>> _______________________________________________
> >>>>>>>>>>>>>> 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
> >>>>>>>>>>>>>
> >>>>>>>>>>>>
> >>>>>>>>>>>>
> >>>>>>>>>>>>
> >>>>>>>>>>>> --
> >>>>>>>>>>>> Bill Miller III
> >>>>>>>>>>>> Quantum Theory Project,
> >>>>>>>>>>>> University of Florida
> >>>>>>>>>>>> Ph.D. Graduate Student
> >>>>>>>>>>>> 352-392-6715
> >>>>>>>>>>>> _______________________________________________
> >>>>>>>>>>>> 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
> >>>>>>>>>>>
> >>>>>>>>>>
> >>>>>>>>>>
> >>>>>>>>>>
> >>>>>>>>>> --
> >>>>>>>>>> Bill Miller III
> >>>>>>>>>> Quantum Theory Project,
> >>>>>>>>>> University of Florida
> >>>>>>>>>> Ph.D. Graduate Student
> >>>>>>>>>> 352-392-6715
> >>>>>>>>>> _______________________________________________
> >>>>>>>>>> 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
> >>>>>>>>
> >>>>>>>
> >>>>>>>
> >>>>>>>
> >>>>>>> --
> >>>>>>> Bill Miller III
> >>>>>>> Quantum Theory Project,
> >>>>>>> University of Florida
> >>>>>>> Ph.D. Graduate Student
> >>>>>>> 352-392-6715
> >>>>>>> _______________________________________________
> >>>>>>> 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
> >>>>>>
> >>>>>>
> >>>>>
> >>>>>
> >>>>> --
> >>>>> Bill Miller III
> >>>>> Quantum Theory Project,
> >>>>> University of Florida
> >>>>> Ph.D. Graduate Student
> >>>>> 352-392-6715
> >>>>>
> >>>>> _______________________________________________
> >>>>> 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
> >>>>
> >>>
> >>>
> >>>
> >>> --
> >>> Bill Miller III
> >>> Quantum Theory Project,
> >>> University of Florida
> >>> Ph.D. Graduate Student
> >>> 352-392-6715
> >>> _______________________________________________
> >>> 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
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Sun May 20 2012 - 20:00:04 PDT
