Re: [AMBER] PMEMD in amber12

From: Mary Varughese <maryvj1985.gmail.com>
Date: Mon, 18 Mar 2013 23:28:36 +0530

Sir,
We do the patch and it worked highly satisfactorily. the output file is
attached. What should i check to know the calcualtion are going in the
right way.

Thanking you for the valuable suggestions and time

mary varughese


On Fri, Mar 15, 2013 at 10:31 PM, Mary Varughese <maryvj1985.gmail.com>wrote:

> Ok sir
> I am not any familiar to GPU and cuda.
> I will do the patch as you said.
> Thank you very much sir.
> I will report as early as possible.
>
> thanking you
>
> On Fri, Mar 15, 2013 at 9:57 PM, Ross Walker <ross.rosswalker.co.uk>wrote:
>
>> Dear Mary,
>>
>> Ok, firstly you have not listened to the advice and updated the software
>> hence you are still running with the original release version, bugs and
>> all.
>>
>> In terms of running calculations for just running on 1 GPU you do not need
>> mpirun at all. So you would do:
>>
>> $AMBERHOME/pmemd.cuda -O -i ..
>>
>> Note the 'pmemd.cuda' does NOT have the .MPI here.
>>
>> All the best
>> Ross
>>
>>
>>
>>
>> On 3/15/13 9:23 AM, "Mary Varughese" <maryvj1985.gmail.com> wrote:
>>
>> >Sir,
>> >
>> >
>> >
>> >The input of the .out file i have sent is
>> >
>> >mpirun -n 8 pmemd.cuda.MPI -O -i TbNrb_md9.in -p TbNrb.prmtop -c
>> >TbNrb_md8.rst -o TbNrb_md9.out -r TbNrb_md9.rst -x TbNrb_md9.mdcrd
>> >
>> >
>> >
>> >*The system i am using has 24 CPU's and a single GPU with 512 cores. *
>> >
>> >*As i understand now, in single GPU there is no need of mpdboot, no need
>> >to
>> >specify no of cores to be used, as in accordance with % of utilization
>> >load
>> >two or more programs and its all thread base.*
>> >
>> >
>> >
>> >So i tried this command since .MPI work only with more than 1 GPU
>> >
>> >
>> >
>> >mpirun -n 1 pmemd.cuda -O -i TbNrb_md9.in -p TbNrb.prmtop -c
>> TbNrb_md8.rst
>> >-o TbNrb_md9.out -r TbNrb_md9.rst -x TbNrb_md9.mdcrd
>> >
>> >
>> >
>> >the output got waited at the last step for more than half hour and i
>> >terminated the program.
>> >
>> >
>> >
>> > -------------------------------------------------------
>> >
>> > Amber 11 SANDER 2010
>> >
>> > -------------------------------------------------------
>> >
>> >| PMEMD implementation of SANDER, Release 11
>> >
>> >| Run on 03/15/2013 at 18:50:47
>> >
>> > [-O]verwriting output
>> >
>> >File Assignments:
>> >
>> >| MDIN: TbNrb_md9.in
>> >
>> >
>> >| MDOUT: TbNrb_md9.out
>> >
>> >
>> >| INPCRD: TbNrb_md8.rst
>> >
>> >
>> >| PARM: TbNrb.prmtop
>> >
>> >
>> >| RESTRT: TbNrb_md9.rst
>> >
>> >
>> >| REFC: refc
>> >
>> >
>> >| MDVEL: mdvel
>> >
>> >
>> >| MDEN: mden
>> >
>> >
>> >| MDCRD: TbNrb_md9.mdcrd
>> >
>> >
>> >| MDINFO: mdinfo
>> >
>> >
>> > Here is the input file:
>> >
>> >Tb-Ntr complex : 200ps MD (production run in NPT)
>> >
>> >
>> > &cntrl
>> >
>> >
>> > imin = 0,
>> >
>> >
>> > irest = 1,
>> >
>> >
>> > ntx = 5,
>> >
>> >
>> > ntb = 2, ntp = 1, pres0 = 1.0,
>> >
>> >
>> > cut = 10,
>> >
>> >
>> > ntr = 0,
>> >
>> >
>> > ntc = 2,
>> >
>> >
>> > ntf = 2,
>> >
>> >
>> > tempi = 300.0,
>> >
>> >
>> > temp0 = 300.0,
>> >
>> >
>> > ntt = 3,
>> >
>> >
>> > gamma_ln = 1,
>> >
>> >
>> > nstlim = 1000, dt = 0.002,
>> >
>> >
>> > ntpr = 500, ntwx = 500, ntwr = 1000,
>> >
>> >
>> > /
>> >
>> >
>> >|--------------------- INFORMATION ----------------------
>> >
>> >| GPU (CUDA) Version of PMEMD in use: NVIDIA GPU IN USE.
>> >
>> >| Version 12.0
>> >
>> >| 03/19/2012
>> >
>> >| Implementation by:
>> >
>> >| Ross C. Walker (SDSC)
>> >
>> >| Scott Le Grand (nVIDIA)
>> >
>> >| Duncan Poole (nVIDIA)
>> >
>> >| CAUTION: The CUDA code is currently experimental.
>> >
>> >| You use it at your own risk. Be sure to
>> >
>> >| check ALL results carefully.
>> >
>> >| Precision model in use:
>> >
>> >| [SPDP] - Hybrid Single/Double Precision (Default).
>> >
>> >|--------------------------------------------------------
>> >
>> >|------------------- GPU DEVICE INFO --------------------
>> >
>> >| CUDA Capable Devices Detected: 1
>> >
>> >| CUDA Device ID in use: 0
>> >
>> >| CUDA Device Name: Tesla M2090
>> >
>> >| CUDA Device Global Mem Size: 5375 MB
>> >
>> >| CUDA Device Num Multiprocessors: 16
>> >
>> >| CUDA Device Core Freq: 1.30 GHz
>> >
>> >|
>> >
>> >|--------------------------------------------------------
>> >
>> >| Conditional Compilation Defines Used:
>> >
>> >| DIRFRC_COMTRANS
>> >
>> >| DIRFRC_EFS
>> >
>> >| DIRFRC_NOVEC
>> >
>> >| PUBFFT
>> >
>> >| FFTLOADBAL_2PROC
>> >
>> >| BINTRAJ
>> >
>> >| CUDA
>> >
>> >| Largest sphere to fit in unit cell has radius = 47.238
>> >
>> >| New format PARM file being parsed.
>> >
>> >| Version = 1.000 Date = 10/04/12 Time = 11:18:48
>> >
>> >| Note: 1-4 EEL scale factors are being read from the topology file.
>> >
>> >| Note: 1-4 VDW scale factors are being read from the topology file.
>> >
>> >| Duplicated 0 dihedrals
>> >
>> >| Duplicated 0 dihedrals
>> >
>>
>> >--------------------------------------------------------------------------
>> >------
>> >
>> > 1. RESOURCE USE:
>> >
>>
>> >--------------------------------------------------------------------------
>> >------
>> >
>> > getting new box info from bottom of inpcrd
>> >
>> > NATOM = 119092 NTYPES = 20 NBONH = 112233 MBONA = 6978
>> >
>> > NTHETH = 14955 MTHETA = 9471 NPHIH = 29675 MPHIA = 23498
>> >
>> > NHPARM = 0 NPARM = 0 NNB = 214731 NRES = 36118
>> >
>> > NBONA = 6978 NTHETA = 9471 NPHIA = 23498 NUMBND = 78
>> >
>> > NUMANG = 158 NPTRA = 71 NATYP = 52 NPHB = 1
>> >
>> > IFBOX = 2 NMXRS = 44 IFCAP = 0 NEXTRA = 0
>> >
>> > NCOPY = 0
>> >
>> >| Coordinate Index Table dimensions: 18 18 18
>> >
>> >| Direct force subcell size = 6.4283 6.4283 6.4283
>> >
>> > BOX TYPE: TRUNCATED OCTAHEDRON
>> >
>>
>> >--------------------------------------------------------------------------
>> >------
>> >
>> > 2. CONTROL DATA FOR THE RUN
>> >
>>
>> >--------------------------------------------------------------------------
>> >------
>> >
>> >
>> >General flags:
>> >
>> > imin = 0, nmropt = 0
>> >
>> >Nature and format of input:
>> >
>> > ntx = 5, irest = 1, ntrx = 1
>> >
>> >Nature and format of output:
>> >
>> > ntxo = 1, ntpr = 500, ntrx = 1, ntwr =
>> >1000
>> >
>> > iwrap = 0, ntwx = 500, ntwv = 0, ntwe =
>> > 0
>> >
>> > ioutfm = 0, ntwprt = 0, idecomp = 0, rbornstat=
>> >0
>> >
>> >Potential function:
>> >
>> > ntf = 2, ntb = 2, igb = 0, nsnb =
>> > 25
>> >
>> > ipol = 0, gbsa = 0, iesp = 0
>> >
>> > dielc = 1.00000, cut = 10.00000, intdiel = 1.00000
>> >
>> >Frozen or restrained atoms:
>> >
>> > ibelly = 0, ntr = 0
>> >
>> >Molecular dynamics:
>> >
>> > nstlim = 1000, nscm = 1000, nrespa = 1
>> >
>> > t = 0.00000, dt = 0.00200, vlimit = -1.00000
>> >
>> >Langevin dynamics temperature regulation:
>> >
>> > ig = 71277
>> >
>> > temp0 = 300.00000, tempi = 300.00000, gamma_ln= 1.00000
>> >
>> >Pressure regulation:
>> >
>> > ntp = 1
>> >
>> > pres0 = 1.00000, comp = 44.60000, taup = 1.00000
>> >
>> >SHAKE:
>> >
>> > ntc = 2, jfastw = 0
>> >
>> > tol = 0.00001
>> >
>> >| Intermolecular bonds treatment:
>> >
>> >| no_intermolecular_bonds = 1
>> >
>> >| Energy averages sample interval:
>> >
>> >| ene_avg_sampling = 500
>> >
>> > Ewald parameters:
>> >
>> > verbose = 0, ew_type = 0, nbflag = 1, use_pme =
>> >1
>> >
>> > vdwmeth = 1, eedmeth = 1, netfrc = 1
>> >
>> > Box X = 115.709 Box Y = 115.709 Box Z = 115.709
>> >
>> > Alpha = 109.471 Beta = 109.471 Gamma = 109.471
>> >
>> > NFFT1 = 120 NFFT2 = 120 NFFT3 = 120
>> >
>> > Cutoff= 10.000 Tol =0.100E-04
>> >
>> > Ewald Coefficient = 0.27511
>> >
>> > Interpolation order = 4
>> >
>>
>> >--------------------------------------------------------------------------
>> >------
>> >
>> > 3. ATOMIC COORDINATES AND VELOCITIES
>> >
>>
>> >--------------------------------------------------------------------------
>> >------
>> >
>> > begin time read from input coords = 400.000 ps
>> >
>> > Number of triangulated 3-point waters found: 35215
>> >
>> > Sum of charges from parm topology file = -0.00000042
>> >
>> > Forcing neutrality...
>> >
>> >* *
>> >
>> >* *
>> >* *
>> >
>> >***Then i tried this: waiting at the last step, i wait for 45 minutes and
>> >terminate.*
>> >* *
>> >
>> >
>> >
>> >pmemd.cuda -O -i TbNrb_md9.in -p TbNrb.prmtop -c TbNrb_md8.rst -o
>> >TbNrb_md9.out -r TbNrb_md9.rst -x TbNrb_md9.mdcrd
>> >
>> >
>> >
>> > -------------------------------------------------------
>> >
>> > Amber 11 SANDER 2010
>> >
>> > -------------------------------------------------------
>> >
>> >| PMEMD implementation of SANDER, Release 11
>> >
>> >| Run on 03/15/2013 at 19:14:46
>> >
>> > [-O]verwriting output
>> >
>> >File Assignments:
>> >
>> >| MDIN: TbNrb_md9.in
>> >
>> >
>> >| MDOUT: TbNrb_md9.out
>> >
>> >
>> >| INPCRD: TbNrb_md8.rst
>> >
>> >
>> >| PARM: TbNrb.prmtop
>> >
>> >
>> >| RESTRT: TbNrb_md9.rst
>> >
>> >
>> >| REFC: refc
>> >
>> >
>> >| MDVEL: mdvel
>> >
>> >
>> >| MDEN: mden
>> >
>> >
>> >| MDCRD: TbNrb_md9.mdcrd
>> >
>> >
>> >| MDINFO: mdinfo
>> >
>> >
>> > Here is the input file:
>> >
>> >Tb-Ntr complex : 200ps MD (production run in NPT)
>> >
>> >
>> > &cntrl
>> >
>> >
>> > imin = 0,
>> >
>> >
>> > irest = 1,
>> >
>> >
>> > ntx = 5,
>> >
>> >
>> > ntb = 2, ntp = 1, pres0 = 1.0,
>> >
>> >
>> > cut = 10,
>> >
>> >
>> > ntr = 0,
>> >
>> >
>> > ntc = 2,
>> >
>> >
>> > ntf = 2,
>> >
>> >
>> > tempi = 300.0,
>> >
>> >
>> > temp0 = 300.0,
>> >
>> >
>> > ntt = 3,
>> >
>> >
>> > gamma_ln = 1,
>> >
>> >
>> > nstlim = 1000, dt = 0.002,
>> >
>> >
>> > ntpr = 500, ntwx = 500, ntwr = 1000,
>> >
>> >
>> > /
>> >
>> >
>> >|--------------------- INFORMATION ----------------------
>> >
>> >| GPU (CUDA) Version of PMEMD in use: NVIDIA GPU IN USE.
>> >
>> >| Version 12.0
>> >
>> >| 03/19/2012
>> >
>> >| Implementation by:
>> >
>> >| Ross C. Walker (SDSC)
>> >
>> >| Scott Le Grand (nVIDIA)
>> >
>> >| Duncan Poole (nVIDIA)
>> >
>> >| CAUTION: The CUDA code is currently experimental.
>> >
>> >| You use it at your own risk. Be sure to
>> >
>> >| check ALL results carefully.
>> >
>> >| Precision model in use:
>> >
>> >| [SPDP] - Hybrid Single/Double Precision (Default).
>> >
>> >|------------------- GPU DEVICE INFO --------------------
>> >
>> >| CUDA Capable Devices Detected: 1
>> >
>> >| CUDA Device ID in use: 0
>> >
>> >| CUDA Device Name: Tesla M2090
>> >
>> >| CUDA Device Global Mem Size: 5375 MB
>> >
>> >| CUDA Device Num Multiprocessors: 16
>> >
>> >| CUDA Device Core Freq: 1.30 GHz
>> >
>> >|--------------------------------------------------------
>> >
>> >| Conditional Compilation Defines Used:
>> >
>> >| DIRFRC_COMTRANS
>> >
>> >| DIRFRC_EFS
>> >
>> >| DIRFRC_NOVEC
>> >
>> >| PUBFFT
>> >
>> >| FFTLOADBAL_2PROC
>> >
>> >| BINTRAJ
>> >
>> >| CUDA
>> >
>> >
>> >
>> >| Largest sphere to fit in unit cell has radius = 47.238
>> >
>> >| New format PARM file being parsed.
>> >
>> >| Version = 1.000 Date = 10/04/12 Time = 11:18:48
>> >
>> >| Note: 1-4 EEL scale factors are being read from the topology file.
>> >
>> >| Note: 1-4 VDW scale factors are being read from the topology file.
>> >
>> >| Duplicated 0 dihedrals
>> >
>> >| Duplicated 0 dihedrals
>> >
>>
>> >--------------------------------------------------------------------------
>> >------
>> >
>> > 1. RESOURCE USE:
>> >
>>
>> >--------------------------------------------------------------------------
>> >------
>> >
>> > getting new box info from bottom of inpcrd
>> >
>> > NATOM = 119092 NTYPES = 20 NBONH = 112233 MBONA = 6978
>> >
>> > NTHETH = 14955 MTHETA = 9471 NPHIH = 29675 MPHIA = 23498
>> >
>> > NHPARM = 0 NPARM = 0 NNB = 214731 NRES = 36118
>> >
>> > NBONA = 6978 NTHETA = 9471 NPHIA = 23498 NUMBND = 78
>> >
>> > NUMANG = 158 NPTRA = 71 NATYP = 52 NPHB = 1
>> >
>> > IFBOX = 2 NMXRS = 44 IFCAP = 0 NEXTRA = 0
>> >
>> > NCOPY = 0
>> >
>> >| Coordinate Index Table dimensions: 18 18 18
>> >
>> >| Direct force subcell size = 6.4283 6.4283 6.4283
>> >
>> > BOX TYPE: TRUNCATED OCTAHEDRON
>> >
>>
>> >--------------------------------------------------------------------------
>> >------
>> >
>> > 2. CONTROL DATA FOR THE RUN
>> >
>>
>> >--------------------------------------------------------------------------
>> >------
>> >
>> >General flags:
>> >
>> > imin = 0, nmropt = 0
>> >
>> >Nature and format of input:
>> >
>> > ntx = 5, irest = 1, ntrx = 1
>> >
>> >Nature and format of output:
>> >
>> > ntxo = 1, ntpr = 500, ntrx = 1, ntwr =
>> >1000
>> >
>> > iwrap = 0, ntwx = 500, ntwv = 0, ntwe =
>> > 0
>> >
>> > ioutfm = 0, ntwprt = 0, idecomp = 0, rbornstat=
>> >0
>> >
>> >Potential function:
>> >
>> > ntf = 2, ntb = 2, igb = 0, nsnb =
>> >25
>> >
>> > ipol = 0, gbsa = 0, iesp = 0
>> >
>> > dielc = 1.00000, cut = 10.00000, intdiel = 1.00000
>> >
>> >Frozen or restrained atoms:
>> >
>> > ibelly = 0, ntr = 0
>> >
>> >Molecular dynamics:
>> >
>> > nstlim = 1000, nscm = 1000, nrespa = 1
>> >
>> > t = 0.00000, dt = 0.00200, vlimit = -1.00000
>> >
>> >Langevin dynamics temperature regulation:
>> >
>> > ig = 71277
>> >
>> > temp0 = 300.00000, tempi = 300.00000, gamma_ln= 1.00000
>> >
>> >Pressure regulation:
>> >
>> > ntp = 1
>> >
>> > pres0 = 1.00000, comp = 44.60000, taup = 1.00000
>> >
>> >SHAKE:
>> >
>> > ntc = 2, jfastw = 0
>> >
>> > tol = 0.00001
>> >
>> >| Intermolecular bonds treatment:
>> >
>> >| no_intermolecular_bonds = 1
>> >
>> >| Energy averages sample interval:
>> >
>> >| ene_avg_sampling = 500
>> >
>> >
>> >
>> >Ewald parameters:
>> >
>> > verbose = 0, ew_type = 0, nbflag = 1, use_pme =
>> >1
>> >
>> > vdwmeth = 1, eedmeth = 1, netfrc = 1
>> >
>> > Box X = 115.709 Box Y = 115.709 Box Z = 115.709
>> >
>> > Alpha = 109.471 Beta = 109.471 Gamma = 109.471
>> >
>> > NFFT1 = 120 NFFT2 = 120 NFFT3 = 120
>> >
>> > Cutoff= 10.000 Tol =0.100E-04
>> >
>> > Ewald Coefficient = 0.27511
>> >
>> > Interpolation order = 4
>> >
>>
>> >--------------------------------------------------------------------------
>> >------
>> >
>> > 3. ATOMIC COORDINATES AND VELOCITIES
>> >
>> >*
>>
>> >--------------------------------------------------------------------------
>> >-----
>> >*
>> >
>> > begin time read from input coords = 400.000 ps
>> >
>> > Number of triangulated 3-point waters found: 35215
>> >
>> > Sum of charges from parm topology file = -0.00000042
>> >
>> > Forcing neutrality...
>> >
>> >
>> >
>> >
>> >
>> >Am i doing anything wrong.
>> >
>> >Please tell me if my input has some problem.
>> >
>> >Someone says if there is only one GPU only one core will work.
>> >
>> >Please tell me the correct syntax of using pmemd.
>> >
>> >
>> >
>> >Also I donšt understand what this really meant
>> >
>> >if (igb/=0 & cut<systemsize)
>> >
>> >*GPU accelerated implicit solvent GB simulations do not support a
>> cutoff.*
>> >
>> >I am using the same input used for sander!
>> >I will work on the patch.
>> >
>> >Thanking you
>> >
>> >
>> >On Fri, Mar 15, 2013 at 8:57 PM, Ross Walker <ross.rosswalker.co.uk>
>> >wrote:
>> >
>> >> Hi Mary,
>> >>
>> >> Please read the following page: http://ambermd.org/gpus/
>> >>
>> >> This has all the information you should need for running correctly on
>> >>GPUs.
>> >>
>> >> All the best
>> >> Ross
>> >>
>> >>
>> >>
>> >>
>> >> On 3/14/13 8:20 PM, "Mary Varughese" <maryvj1985.gmail.com> wrote:
>> >>
>> >> >Sir,
>> >> >
>> >> >Infact this is a single GPU with 24 cores as i understand.
>> >> >bugixes have been done.
>> >> >But i will try the step u suggested.
>> >> >Also this work run without any problem in CPU workstaion.
>> >> >Hope the input doesnt contain any variable not compatible with pmemd!
>> >> >
>> >> >Thanking you
>> >> >
>> >> >On Thu, Mar 14, 2013 at 9:16 PM, Ross Walker <ross.rosswalker.co.uk>
>> >> >wrote:
>> >> >
>> >> >> Hi Mary,
>> >> >>
>> >> >> 8 GPUs is a lot to use you probably won't get optimal scaling unless
>> >>you
>> >> >> have very good interconnect and only 1 GPU per node. Some things to
>> >>try
>> >> >>/
>> >> >> consider:
>> >> >>
>> >> >>
>> >> >> >|--------------------- INFORMATION ----------------------
>> >> >> >
>> >> >> >| GPU (CUDA) Version of PMEMD in use: NVIDIA GPU IN USE.
>> >> >> >
>> >> >> >| Version 12.0
>> >> >> >
>> >> >> >|
>> >> >> >
>> >> >> >| 03/19/2012
>> >> >>
>> >> >> You should update your copy of AMBER since there have been many
>> >>tweaks
>> >> >>and
>> >> >> bug fixes. Do:
>> >> >>
>> >> >> cd $AMBERHOME
>> >> >> ./patch_amber.py --update
>> >> >>
>> >> >> Run this until it stops saying there are updates (about 3 or 4
>> >>times).
>> >> >>Then
>> >> >>
>> >> >> make clean
>> >> >> ./configure gnu
>> >> >> make
>> >> >> ./configure -mpi gnu
>> >> >> make
>> >> >> ./configure -cuda gnu
>> >> >> make
>> >> >> ./configure -cuda -mpi gnu
>> >> >> make
>> >> >>
>> >> >> >begin time read from input coords = 400.000 ps
>> >> >> >Number of triangulated 3-point waters found: 35215
>> >> >> >Sum of charges from parm topology file = -0.00000042
>> >> >> >Forcing neutrality...
>> >> >>
>> >> >> This happens with the CPU code sometimes - often when the inpcrd /
>> >> >>restart
>> >> >> file does not contain box information when a periodic simulation is
>> >> >> requested. Does it run ok with the CPU code? - Alternatively it may
>> >>just
>> >> >> be running so slow over 8 GPUs that it hasn't even got to 500 steps
>> >>yet
>> >> >>to
>> >> >> print anything. Try it with just one GPU and see what happens.
>> >> >>
>> >> >>
>> >> >> All the best
>> >> >> Ross
>> >> >>
>> >> >> /\
>> >> >> \/
>> >> >> |\oss Walker
>> >> >>
>> >> >> ---------------------------------------------------------
>> >> >> | Assistant Research Professor |
>> >> >> | San Diego Supercomputer Center |
>> >> >> | Adjunct Assistant Professor |
>> >> >> | Dept. of Chemistry and Biochemistry |
>> >> >> | University of California San Diego |
>> >> >> | NVIDIA Fellow |
>> >> >> | http://www.rosswalker.co.uk | http://www.wmd-lab.org |
>> >> >> | Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
>> >> >> ---------------------------------------------------------
>> >> >>
>> >> >> Note: Electronic Mail is not secure, has no guarantee of delivery,
>> >>may
>> >> >>not
>> >> >> be read every day, and should not be used for urgent or sensitive
>> >> >>issues.
>> >> >>
>> >> >>
>> >> >>
>> >> >>
>> >> >>
>> >> >>
>> >> >> _______________________________________________
>> >> >> AMBER mailing list
>> >> >> AMBER.ambermd.org
>> >> >> http://lists.ambermd.org/mailman/listinfo/amber
>> >> >>
>> >> >
>> >> >
>> >> >
>> >> >--
>> >> >Mary Varughese
>> >> >Research Scholar
>> >> >School of Pure and Applied Physics
>> >> >Mahatma Gandhi University
>> >> >India
>> >> >_______________________________________________
>> >> >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
>> >>
>> >
>> >
>> >
>> >--
>> >Mary Varughese
>> >Research Scholar
>> >School of Pure and Applied Physics
>> >Mahatma Gandhi University
>> >India
>> >_______________________________________________
>> >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
>>
>
>
>
> --
> Mary Varughese
> Research Scholar
> School of Pure and Applied Physics
> Mahatma Gandhi University
> India
>


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Received on Mon Mar 18 2013 - 11:30:04 PDT
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