Hi,Any Help??!!
> From: m.o.m.live.fr
> To: amber.ambermd.org
> Date: Thu, 14 Apr 2011 07:30:46 +0000
> Subject: [AMBER] No data for 0+0 MM BOND 0
>
>
> Hi Amber users,
>
> My MM_PBSA calculation crash with (knowing that I have already done a lot of calculations with the same mmpbsa-input for similar complexes):
>
> =>> Values of parameters
> TEMP = 300
> R = 8.314
> gammaP = 0.0072
> betaP = 0.00
> gammaG = 0.0072
> betaG = 0.00
> =>> Treat special parameters
> =>> Calc missing parameters
> Processing MM GAS
> Doing 1 MM ELE
> No values for MM_ELE existing -> Skipping
> Processing MM INT
> Doing 1 MM BOND
> Doing 1 MM ANGLE
> Doing 1 MM DIHED
> Doing 1 MM BOND
> Doing 1 MM ANGLE
> Doing 1 MM DIHED
> Doing 1 MM BOND
> Doing 1 MM ANGLE
> Doing 1 MM DIHED
> Processing MM ELE
> Doing 1 MM ELENB
> Doing 1 MM ELE14
> Doing 1 MM ELENB
> Doing 1 MM ELE14
> Doing 1 MM ELENB
> Doing 1 MM ELE14
> Processing MM VDW
> Doing 1 MM VDWNB
> Doing 1 MM VDW14
> Doing 1 MM VDWNB
> Doing 1 MM VDW14
> Doing 1 MM VDWNB
> Doing 1 MM VDW14
> Processing GB GBTOT
> Doing 1 GB GBSOL
> No values for GB_GBSOL existing -> Skipping
> Processing GB GBELE
> Doing 1 GB GB
> Doing 1 MM ELE
> Doing 1 GB GB
> Doing 1 MM ELE
> Doing 1 GB GB
> Doing 1 MM ELE
> Processing GB GBSOL
> Doing 1 GB GB
> Doing 1 GB GBSUR
> Doing 1 GB GB
> Doing 1 GB GBSUR
> Doing 1 GB GB
> Doing 1 GB GBSUR
> Processing PB PBSOL
> Doing 1 PB PBCAL
> Doing 1 PB PBSUR
> Doing 1 PB PBDIS
> Doing 1 PB PBCAL
> Doing 1 PB PBSUR
> Doing 1 PB PBDIS
> Doing 1 PB PBCAL
> Doing 1 PB PBSUR
> Doing 1 PB PBDIS
> Processing PB PBELE
> Doing 1 PB PBCAL
> Doing 1 MM ELE
> Doing 1 PB PBCAL
> Doing 1 MM ELE
> Doing 1 PB PBCAL
> Doing 1 MM ELE
> Processing PB PBTOT
> Doing 1 PB PBSOL
> Doing 1 MM GAS
> No values for MM_GAS existing -> Skipping
> Processing MM GAS
> Doing 1 MM ELE
> Doing 1 MM VDW
> Doing 1 MM INT
> Doing 1 MM ELE
> Doing 1 MM VDW
> Doing 1 MM INT
> Doing 1 MM ELE
> Doing 1 MM VDW
> Doing 1 MM INT
> Processing GB GBTOT
> Doing 1 GB GBSOL
> Doing 1 MM GAS
> Doing 1 GB GBSOL
> Doing 1 MM GAS
> Doing 1 GB GBSOL
> Doing 1 MM GAS
> Processing PB PBTOT
> Doing 1 PB PBSOL
> Doing 1 MM GAS
> Doing 1 PB PBSOL
> Doing 1 MM GAS
> Doing 1 PB PBSOL
> Doing 1 MM GAS
> =>> Calc delta from raw data
>
>
>
>
> /usr/spool/PBS/mom_priv/jobs/12908627.master0.alineos.net.SC: line 4: PBS: command not found
> Use of uninitialized value in multiplication (*) at /home/AMBER-10/src/mm_pbsa/mm_pbsa_statistics.pm line 1418.
> Use of uninitialized value in multiplication (*) at /home/AMBER-10/src/mm_pbsa/mm_pbsa_statistics.pm line 1418.
> Use of uninitialized value in multiplication (*) at /home/AMBER-10/src/mm_pbsa/mm_pbsa_statistics.pm line 1418.
> Use of uninitialized value in multiplication (*) at /home/AMBER-10/src/mm_pbsa/mm_pbsa_statistics.pm line 1391.
> Use of uninitialized value in multiplication (*) at /home/AMBER-10/src/mm_pbsa/mm_pbsa_statistics.pm line 1391.
> Use of uninitialized value in multiplication (*) at /home/AMBER-10/src/mm_pbsa/mm_pbsa_statistics.pm line 1391.
> Use of uninitialized value in multiplication (*) at /home/AMBER-10/src/mm_pbsa/mm_pbsa_statistics.pm line 1373.
> Use of uninitialized value in multiplication (*) at /home/AMBER-10/src/mm_pbsa/mm_pbsa_statistics.pm line 1373.
> Use of uninitialized value in multiplication (*) at /home/AMBER-10/src/mm_pbsa/mm_pbsa_statistics.pm line 1373.
> Use of uninitialized value in multiplication (*) at /home/AMBER-10/src/mm_pbsa/mm_pbsa_statistics.pm line 1442.
> Use of uninitialized value in multiplication (*) at /home/AMBER-10/src/mm_pbsa/mm_pbsa_statistics.pm line 1442.
> Use of uninitialized value in multiplication (*) at /home/AMBER-10/src/mm_pbsa/mm_pbsa_statistics.pm line 1442.
> Use of uninitialized value in multiplication (*) at /home/AMBER-10/src/mm_pbsa/mm_pbsa_statistics.pm line 1442.
> Use of uninitialized value in multiplication (*) at /home/AMBER-10/src/mm_pbsa/mm_pbsa_statistics.pm line 1442.
> Use of uninitialized value in multiplication (*) at /home/AMBER-10/src/mm_pbsa/mm_pbsa_statistics.pm line 1442.
> Use of uninitialized value in multiplication (*) at /home/AMBER-10/src/mm_pbsa/mm_pbsa_statistics.pm line 1442.
> Use of uninitialized value in multiplication (*) at /home/AMBER-10/src/mm_pbsa/mm_pbsa_statistics.pm line 1442.
> Use of uninitialized value in multiplication (*) at /home/AMBER-10/src/mm_pbsa/mm_pbsa_statistics.pm line 1442.
> Use of uninitialized value in multiplication (*) at /home/AMBER-10/src/mm_pbsa/mm_pbsa_statistics.pm line 1442.
> Use of uninitialized value in multiplication (*) at /home/AMBER-10/src/mm_pbsa/mm_pbsa_statistics.pm line 1442.
> Use of uninitialized value in multiplication (*) at /home/AMBER-10/src/mm_pbsa/mm_pbsa_statistics.pm line 1442.
> Use of uninitialized value in multiplication (*) at /home/AMBER-10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at /home/AMBER-10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at /home/AMBER-10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at /home/AMBER-10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at /home/AMBER-10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at /home/AMBER-10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at /home/AMBER-10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at /home/AMBER-10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at /home/AMBER-10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at /home/AMBER-10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at /home/AMBER-10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at /home/AMBER-10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at /home/AMBER-10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at /home/AMBER-10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at /home/AMBER-10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at /home/AMBER-10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at /home/AMBER-10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at /home/AMBER-10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at /home/AMBER-10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at /home/AMBER-10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at /home/AMBER-10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at /home/AMBER-10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at /home/AMBER-10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at /home/AMBER-10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at /home/AMBER-10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at /home/AMBER-10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at /home/AMBER-10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at /home/AMBER-10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at /home/AMBER-10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> Use of uninitialized value in multiplication (*) at /home/AMBER-10/src/mm_pbsa/mm_pbsa_statistics.pm line 1537.
> No data for 0+0 MM BOND 0
>
> Thanks in advance for annu help
>
>
>
>
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Received on Sun Apr 17 2011 - 06:00:04 PDT
