On Apr 10, 2011, at 11:01 PM, Jason Swails wrote:
> On Sun, Apr 10, 2011 at 6:34 PM, Wei Huang <whuang.cct.lsu.edu> wrote:
>
>> Yes, I just ran another test to confirm. I didn't see any problem with the
>> serial run.
>>
>> The MPI version for MMPBSA.py is just simple divide and conquer. Right? So
>> I can just write a script to have several serial runs with different start
>> frames and end frames.
>>
>
> You can, but then you'll have to combine the results at the end.
Yes, I will do that. I have the script that you share with me previously.
> Have you tried the default PBSA solver?
Yes, the default PBSA solver works fine.
> Also, if you try to run too many threads on
> the same node, it may be running out of memory.
>
Hmm, this may explain the problem. I have 8 threads on the same node.
Thanks,
Wei
> All the best,
> Jason
>
>
>> Wei
>> On Apr 10, 2011, at 7:25 PM, Bill Miller III wrote:
>>
>>> Have you tried running MMPBSA.py in serial using sander.APBS as the PB
>> solver? Did that work even just on a few frames?
>>>
>>> -Bill
>>>
>>>
>>> On Apr 10, 2011, at 6:52 PM, Wei Huang <whuang.cct.lsu.edu> wrote:
>>>
>>>> Dear Amber users,
>>>>
>>>> I am using the MPI version to MMPBSA.py to carry out some calculations.
>> The PB solver that I used here is APBS, built with iAPBS to generate
>> sander.APBS. No error is found during the independent test runs for both
>> MMPBSA.py.MPI and sander.APBS. However, when I used it in MMPBSA.py.MPI. I
>> got the following error messages. Could you help me figure our what the
>> problem is? Thank you very much!
>>>>
>>>> Regards,
>>>> Wei
>>>>
>>>> Starting to paste error message:
>>>> #############
>>>> MMPBSA.py.MPI being run on 8 processors
>>>> ptraj found! Using
>> /usr/local/packages/amber/11/intel-11.1-mvapich-1.1/exe/ptraj
>>>> sander found! Using
>> /usr/local/packages/amber/11/intel-11.1-mvapich-1.1/exe/sander
>>>> sander.APBS found! Using
>> /usr/local/packages/amber/11/intel-11.1-mvapich-1.1/exe/sander.APBS for PB
>> calculations
>>>>
>>>> Preparing trajectories with ptraj...
>>>> 149 frames were read in and processed by ptraj for use in calculation.
>>>>
>>>> Starting calculations
>>>>
>>>> Starting pb calculation...
>>>>
>>>> calculating ligand contribution...
>>>> forrtl: severe (168): Program Exception - illegal instruction
>>>> Image PC Routine Line
>> Source
>>>> sander.APBS 00000000004EFFDA Unknown Unknown
>> Unknown
>>>> sander.APBS 0000000000657933 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004BAAC4 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004AC3E8 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004A9E37 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004A54DC Unknown Unknown
>> Unknown
>>>> sander.APBS 000000000040DBCC Unknown Unknown
>> Unknown
>>>> libc.so.6 0000003EA6D1C4CB Unknown Unknown
>> Unknown
>>>> sander.APBS 000000000040DAFA Unknown Unknown
>> Unknown
>>>> forrtl: severe (168): Program Exception - illegal instruction
>>>> Image PC Routine Line
>> Source
>>>> sander.APBS 00000000004EFFDA Unknown Unknown
>> Unknown
>>>> sander.APBS 0000000000657933 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004BAAC4 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004AC3E8 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004A9E37 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004A54DC Unknown Unknown
>> Unknown
>>>> sander.APBS 000000000040DBCC Unknown Unknown
>> Unknown
>>>> libc.so.6 0000003EA6D1C4CB Unknown Unknown
>> Unknown
>>>> sander.APBS 000000000040DAFA Unknown Unknown
>> Unknown
>>>> forrtl: severe (168): Program Exception - illegal instruction
>>>> Image PC Routine Line
>> Source
>>>> sander.APBS 00000000004EFFDA Unknown Unknown
>> Unknown
>>>> sander.APBS 0000000000657933 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004BAAC4 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004AC3E8 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004A9E37 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004A54DC Unknown Unknown
>> Unknown
>>>> sander.APBS 000000000040DBCC Unknown Unknown
>> Unknown
>>>> libc.so.6 0000003EA6D1C4CB Unknown Unknown
>> Unknown
>>>> sander.APBS 000000000040DAFA Unknown Unknown
>> Unknown
>>>> forrtl: severe (168): Program Exception - illegal instruction
>>>> Image PC Routine Line
>> Source
>>>> sander.APBS 00000000004EFFDA Unknown Unknown
>> Unknown
>>>> sander.APBS 0000000000657933 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004BAAC4 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004AC3E8 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004A9E37 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004A54DC Unknown Unknown
>> Unknown
>>>> sander.APBS 000000000040DBCC Unknown Unknown
>> Unknown
>>>> libc.so.6 0000003EA6D1C4CB Unknown Unknown
>> Unknown
>>>> sander.APBS 000000000040DAFA Unknown Unknown
>> Unknown
>>>> forrtl: severe (168): Program Exception - illegal instruction
>>>> Image PC Routine Line
>> Source
>>>> sander.APBS 00000000004EFFDA Unknown Unknown
>> Unknown
>>>> sander.APBS 0000000000657933 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004BAAC4 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004AC3E8 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004A9E37 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004A54DC Unknown Unknown
>> Unknown
>>>> sander.APBS 000000000040DBCC Unknown Unknown
>> Unknown
>>>> libc.so.6 0000003EA6D1C4CB Unknown Unknown
>> Unknown
>>>> sander.APBS 000000000040DAFA Unknown Unknown
>> Unknown
>>>> forrtl: severe (168): Program Exception - illegal instruction
>>>> Image PC Routine Line
>> Source
>>>> sander.APBS 00000000004EFFDA Unknown Unknown
>> Unknown
>>>> sander.APBS 0000000000657933 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004BAAC4 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004AC3E8 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004A9E37 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004A54DC Unknown Unknown
>> Unknown
>>>> sander.APBS 000000000040DBCC Unknown Unknown
>> Unknown
>>>> libc.so.6 0000003EA6D1C4CB Unknown Unknown
>> Unknown
>>>> sander.APBS 000000000040DAFA Unknown Unknown
>> Unknown
>>>> forrtl: severe (168): Program Exception - illegal instruction
>>>> Image PC Routine Line
>> Source
>>>> sander.APBS 00000000004EFFDA Unknown Unknown
>> Unknown
>>>> sander.APBS 0000000000657933 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004BAAC4 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004AC3E8 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004A9E37 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004A54DC Unknown Unknown
>> Unknown
>>>> sander.APBS 000000000040DBCC Unknown Unknown
>> Unknown
>>>> libc.so.6 0000003EA6D1C4CB Unknown Unknown
>> Unknown
>>>> sander.APBS 000000000040DAFA Unknown Unknown
>> Unknown
>>>> forrtl: severe (168): Program Exception - illegal instruction
>>>> Image PC Routine Line
>> Source
>>>> sander.APBS 00000000004EFFDA Unknown Unknown
>> Unknown
>>>> sander.APBS 0000000000657933 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004BAAC4 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004AC3E8 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004A9E37 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004A54DC Unknown Unknown
>> Unknown
>>>> sander.APBS 000000000040DBCC Unknown Unknown
>> Unknown
>>>> libc.so.6 0000003EA6D1C4CB Unknown Unknown
>> Unknown
>>>> sander.APBS 000000000040DAFA Unknown Unknown
>> Unknown
>>>> calculating receptor contribution...
>>>> forrtl: severe (168): Program Exception - illegal instruction
>>>> Image PC Routine Line
>> Source
>>>> sander.APBS 00000000004EFFDA Unknown Unknown
>> Unknown
>>>> sander.APBS 0000000000657933 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004BAAC4 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004AC3E8 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004A9E37 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004A54DC Unknown Unknown
>> Unknown
>>>> sander.APBS 000000000040DBCC Unknown Unknown
>> Unknown
>>>> libc.so.6 0000003EA6D1C4CB Unknown Unknown
>> Unknown
>>>> sander.APBS 000000000040DAFA Unknown Unknown
>> Unknown
>>>> forrtl: severe (168): Program Exception - illegal instruction
>>>> Image PC Routine Line
>> Source
>>>> sander.APBS 00000000004EFFDA Unknown Unknown
>> Unknown
>>>> sander.APBS 0000000000657933 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004BAAC4 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004AC3E8 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004A9E37 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004A54DC Unknown Unknown
>> Unknown
>>>> sander.APBS 000000000040DBCC Unknown Unknown
>> Unknown
>>>> libc.so.6 0000003EA6D1C4CB Unknown Unknown
>> Unknown
>>>> sander.APBS 000000000040DAFA Unknown Unknown
>> Unknown
>>>> calculating complex contribution...
>>>> forrtl: severe (168): Program Exception - illegal instruction
>>>> Image PC Routine Line
>> Source
>>>> sander.APBS 00000000004EFFDA Unknown Unknown
>> Unknown
>>>> sander.APBS 0000000000657933 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004BAAC4 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004AC3E8 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004A9E37 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004A54DC Unknown Unknown
>> Unknown
>>>> sander.APBS 000000000040DBCC Unknown Unknown
>> Unknown
>>>> libc.so.6 0000003EA6D1C4CB Unknown Unknown
>> Unknown
>>>> sander.APBS 000000000040DAFA Unknown Unknown
>> Unknown
>>>> forrtl: severe (168): Program Exception - illegal instruction
>>>> Image PC Routine Line
>> Source
>>>> sander.APBS 00000000004EFFDA Unknown Unknown
>> Unknown
>>>> sander.APBS 0000000000657933 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004BAAC4 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004AC3E8 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004A9E37 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004A54DC Unknown Unknown
>> Unknown
>>>> sander.APBS 000000000040DBCC Unknown Unknown
>> Unknown
>>>> libc.so.6 0000003EA6D1C4CB Unknown Unknown
>> Unknown
>>>> sander.APBS 000000000040DAFA Unknown Unknown
>> Unknown
>>>> forrtl: severe (168): Program Exception - illegal instruction
>>>> Image PC Routine Line
>> Source
>>>> sander.APBS 00000000004EFFDA Unknown Unknown
>> Unknown
>>>> sander.APBS 0000000000657933 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004BAAC4 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004AC3E8 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004A9E37 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004A54DC Unknown Unknown
>> Unknown
>>>> sander.APBS 000000000040DBCC Unknown Unknown
>> Unknown
>>>> libc.so.6 0000003EA6D1C4CB Unknown Unknown
>> Unknown
>>>> sander.APBS 000000000040DAFA Unknown Unknown
>> Unknown
>>>> forrtl: severe (168): Program Exception - illegal instruction
>>>> Image PC Routine Line
>> Source
>>>> sander.APBS 00000000004EFFDA Unknown Unknown
>> Unknown
>>>> sander.APBS 0000000000657933 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004BAAC4 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004AC3E8 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004A9E37 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004A54DC Unknown Unknown
>> Unknown
>>>> sander.APBS 000000000040DBCC Unknown Unknown
>> Unknown
>>>> libc.so.6 0000003EA6D1C4CB Unknown Unknown
>> Unknown
>>>> sander.APBS 000000000040DAFA Unknown Unknown
>> Unknown
>>>> forrtl: severe (168): Program Exception - illegal instruction
>>>> Image PC Routine Line
>> Source
>>>> sander.APBS 00000000004EFFDA Unknown Unknown
>> Unknown
>>>> sander.APBS 0000000000657933 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004BAAC4 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004AC3E8 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004A9E37 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004A54DC Unknown Unknown
>> Unknown
>>>> sander.APBS 000000000040DBCC Unknown Unknown
>> Unknown
>>>> libc.so.6 0000003EA6D1C4CB Unknown Unknown
>> Unknown
>>>> sander.APBS 000000000040DAFA Unknown Unknown
>> Unknown
>>>> forrtl: severe (168): Program Exception - illegal instruction
>>>> Image PC Routine Line
>> Source
>>>> sander.APBS 00000000004EFFDA Unknown Unknown
>> Unknown
>>>> sander.APBS 0000000000657933 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004BAAC4 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004AC3E8 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004A9E37 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004A54DC Unknown Unknown
>> Unknown
>>>> sander.APBS 000000000040DBCC Unknown Unknown
>> Unknown
>>>> libc.so.6 0000003EA6D1C4CB Unknown Unknown
>> Unknown
>>>> sander.APBS 000000000040DAFA Unknown Unknown
>> Unknown
>>>> forrtl: severe (168): Program Exception - illegal instruction
>>>> Image PC Routine Line
>> Source
>>>> sander.APBS 00000000004EFFDA Unknown Unknown
>> Unknown
>>>> sander.APBS 0000000000657933 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004BAAC4 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004AC3E8 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004A9E37 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004A54DC Unknown Unknown
>> Unknown
>>>> sander.APBS 000000000040DBCC Unknown Unknown
>> Unknown
>>>> libc.so.6 0000003EA6D1C4CB Unknown Unknown
>> Unknown
>>>> sander.APBS 000000000040DAFA Unknown Unknown
>> Unknown
>>>>
>>>> Calculations complete. Writing output file(s)...
>>>> forrtl: severe (168): Program Exception - illegal instruction
>>>> Image PC Routine Line
>> Source
>>>> sander.APBS 00000000004EFFDA Unknown Unknown
>> Unknown
>>>> sander.APBS 0000000000657933 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004BAAC4 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004AC3E8 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004A9E37 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004A54DC Unknown Unknown
>> Unknown
>>>> sander.APBS 000000000040DBCC Unknown Unknown
>> Unknown
>>>> libc.so.6 0000003EA6D1C4CB Unknown Unknown
>> Unknown
>>>> sander.APBS 000000000040DAFA Unknown Unknown
>> Unknown
>>>> forrtl: severe (168): Program Exception - illegal instruction
>>>> Image PC Routine Line
>> Source
>>>> sander.APBS 00000000004EFFDA Unknown Unknown
>> Unknown
>>>> sander.APBS 0000000000657933 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004BAAC4 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004AC3E8 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004A9E37 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004A54DC Unknown Unknown
>> Unknown
>>>> sander.APBS 000000000040DBCC Unknown Unknown
>> Unknown
>>>> libc.so.6 0000003EA6D1C4CB Unknown Unknown
>> Unknown
>>>> sander.APBS 000000000040DAFA Unknown Unknown
>> Unknown
>>>> forrtl: severe (168): Program Exception - illegal instruction
>>>> Image PC Routine Line
>> Source
>>>> sander.APBS 00000000004EFFDA Unknown Unknown
>> Unknown
>>>> sander.APBS 0000000000657933 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004BAAC4 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004AC3E8 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004A9E37 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004A54DC Unknown Unknown
>> Unknown
>>>> sander.APBS 000000000040DBCC Unknown Unknown
>> Unknown
>>>> libc.so.6 0000003EA6D1C4CB Unknown Unknown
>> Unknown
>>>> sander.APBS 000000000040DAFA Unknown Unknown
>> Unknown
>>>> forrtl: severe (168): Program Exception - illegal instruction
>>>> Image PC Routine Line
>> Source
>>>> sander.APBS 00000000004EFFDA Unknown Unknown
>> Unknown
>>>> sander.APBS 0000000000657933 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004BAAC4 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004AC3E8 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004A9E37 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004A54DC Unknown Unknown
>> Unknown
>>>> sander.APBS 000000000040DBCC Unknown Unknown
>> Unknown
>>>> libc.so.6 0000003EA6D1C4CB Unknown Unknown
>> Unknown
>>>> sander.APBS 000000000040DAFA Unknown Unknown
>> Unknown
>>>> forrtl: severe (168): Program Exception - illegal instruction
>>>> Image PC Routine Line
>> Source
>>>> sander.APBS 00000000004EFFDA Unknown Unknown
>> Unknown
>>>> sander.APBS 0000000000657933 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004BAAC4 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004AC3E8 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004A9E37 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004A54DC Unknown Unknown
>> Unknown
>>>> sander.APBS 000000000040DBCC Unknown Unknown
>> Unknown
>>>> libc.so.6 0000003EA6D1C4CB Unknown Unknown
>> Unknown
>>>> sander.APBS 000000000040DAFA Unknown Unknown
>> Unknown
>>>> forrtl: severe (168): Program Exception - illegal instruction
>>>> Image PC Routine Line
>> Source
>>>> sander.APBS 00000000004EFFDA Unknown Unknown
>> Unknown
>>>> sander.APBS 0000000000657933 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004BAAC4 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004AC3E8 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004A9E37 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004A54DC Unknown Unknown
>> Unknown
>>>> sander.APBS 000000000040DBCC Unknown Unknown
>> Unknown
>>>> libc.so.6 0000003EA6D1C4CB Unknown Unknown
>> Unknown
>>>> sander.APBS 000000000040DAFA Unknown Unknown
>> Unknown
>>>> forrtl: severe (168): Program Exception - illegal instruction
>>>> Image PC Routine Line
>> Source
>>>> sander.APBS 00000000004EFFDA Unknown Unknown
>> Unknown
>>>> sander.APBS 0000000000657933 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004BAAC4 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004AC3E8 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004A9E37 Unknown Unknown
>> Unknown
>>>> sander.APBS 00000000004A54DC Unknown Unknown
>> Unknown
>>>> sander.APBS 000000000040DBCC Unknown Unknown
>> Unknown
>>>> libc.so.6 0000003EA6D1C4CB Unknown Unknown
>> Unknown
>>>> sander.APBS 000000000040DAFA Unknown Unknown
>> Unknown
>>>> [21685 refs]
>>>> [21685 refs]
>>>> [21685 refs]
>>>> [21685 refs]
>>>> [21685 refs]
>>>> [21685 refs]
>>>> [21685 refs]
>>>> Error: No potential terms in sander output! Check output files.
>>>> NOTE: All files have been retained for debugging purposes. Type
>> MMPBSA.py --clean to erase these files.
>>>> _______________________________________________
>>>> 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
>>
>
>
>
> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Candidate
> 352-392-4032
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
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Received on Sun Apr 10 2011 - 21:30:04 PDT
