[gmx-users] 1-4 Scaling Problem?

ANINDITA GAYEN aninditagayen at yahoo.co.in
Sat May 24 08:32:12 CEST 2008


Dear Sir,

I am sufferering from a dmpc-bilayer-area shrinking problem. The fact is the experimental area at 300K is 59.6A2, where I am always getting 54A2 or 55A2 area. The dmpc_npat.pdb along with lipi.itp and dmpc.itp was taken from the Tieleman's site, and I tried to modify these with half-epsilon double pairlist method to combine OPLS-BERGER. 

I am doing an initial minimisation (4500 steps with emtop 100) with flexible SPC and then turing on SETTLE and LINCS i am doing a pr-dynamics for 250ps and then MD run for 5ns. In the pr-dynamics, the area is around the original, but after starting MD, the area starts shrinking in 50ps only, and become continuous near 54A2. I know, 500ps is not sufficient for equilibration but the area shows no sign to again increase.

The pr.mdp is:
title               =  bilayer MD DMPC POSRES PURE
cpp                 =  /usr/bin/cpp
define              =  -DDMPCPOSRES
constraints         =  all-bonds
constraint_algorithm=  lincs  
lincs_order         =  4 
lincs_warnangle     =  30
integrator          =  md
dt                  =  0.002    ; ps !
nsteps              =  125000    ; total 100 ps.
nstcomm             =  1
comm-mode           =  linear
nstxout             =  5000
nstvout             =  5000
nstfout             =  5000
nstenergy           =  1000
nstlist             =  5
ns_type             =  grid
rlist               =  0.9
rcoulomb            =  0.9
vdwtype             =  Cut-off
rvdw                =  1.4
fourierspacing      =  0.12
fourier_nx          =  0
fourier_ny          =  0
fourier_nz          =  0
coulombtype         =  PME
pme_order           =  4
ewald_rtol          =  1e-5
optimize_fft        =  yes
; Berendsen temperature coupling is on in two groups
Tcoupl              =  berendsen
tau_t               =  0.1           0.1
tc-grps             =  DMPC          sol
ref_t               =  300           300
; Pressure coupling is not on
Pcoupl              =  berendsen
tau_p               =  4.0           4.0
compressibility     =  4.5e-5        4.5e-5
ref_p               =  1.0           1.0
pcoupltype          =  semiisotropic
; Generate velocites is on at 300 K.
gen_vel             =  yes
gen_temp            =  300.0
gen_seed            =  173529

the md.mdp file is:

title               =  bilayer MD DMPC PURE
cpp                 =  /usr/bin/cpp
constraints         =  all-bonds
constraint_algorithm=  lincs  
lincs_order         =  4 
lincs_warnangle     =  30
integrator          =  md
dt                  =  0.002    ; ps !
nsteps              =  2500000     ; total 100 ps.
nstcomm             =  1
comm-mode           =  linear
nstxout             =  5000
nstvout             =  5000
nstfout             =  5000
nstenergy           =  1000
nstlist             =  5
ns_type             =  grid
rlist               =  0.9
rcoulomb            =  0.9
vdwtype             =  Cut-off
rvdw                =  1.4
fourierspacing      =  0.12
fourier_nx          =  0
fourier_ny          =  0
fourier_nz          =  0
coulombtype         =  PME
pme_order           =  4
ewald_rtol          =  1e-5
optimize_fft        =  yes
; Berendsen temperature coupling is on in two groups
Tcoupl              =  berendsen
tau_t               =  0.1           0.1
tc-grps             =  DMPC          sol
ref_t               =  300           300
; Pressure coupling is not on
Pcoupl              =  berendsen
tau_p               =  4.0           4.0
compressibility     =  4.5e-5        4.5e-5
ref_p               =  1.0           1.0
pcoupltype          =  semiisotropic
; Generate velocites is on at 300 K.
gen_vel             =  yes
gen_temp            =  300.0
gen_seed            =  173529


the ffoplsaamd.itp is:
#define _FF_OPLS
#define _FF_OPLSAA

; This force field uses a format that requires Gromacs 3.1.4 or later.
;
; References for the OPLS-AA force field: 
;
; W. L. Jorgensen, D. S. Maxwell, and J. Tirado-Rives,
; J. Am. Chem. Soc. 118, 11225-11236 (1996).
; W. L. Jorgensen and N. A. McDonald, Theochem 424, 145-155 (1998).
; W. L. Jorgensen and N. A. McDonald, J. Phys. Chem. B 102, 8049-8059 (1998).
; R. C. Rizzo and W. L. Jorgensen, J. Am. Chem. Soc. 121, 4827-4836 (1999).
; M. L. Price, D. Ostrovsky, and W. L. Jorgensen, J. Comp. Chem. (2001).
; E. K. Watkins and W. L. Jorgensen, J. Phys. Chem. A 105, 4118-4125 (2001)..
; G. A. Kaminski, R.A. Friesner, J.Tirado-Rives and W.L. Jorgensen, J. Phys.. Chem. B 105, 6474 (2001).
;

[ defaults ]
; nbfunc	comb-rule	gen-pairs	fudgeLJ	fudgeQQ
1		3		yes		0.5	0.5

#include "ffoplsaanbmd.itp"
#include "ffoplsaabon.itp"

the ffoplsaanbmd.itp is:

[ atomtypes ]
; full atom descriptions are available in ffoplsaa.atp
; name  bond_type    mass    charge   ptype          sigma      epsilon
   LO   LO   1        15.9994      0.000       A    0.296      0.87721   ;carbonyl O, OPLS
  LOM   LOM  1        15.9994      0.000       A    0.296      0.87721   ;carboxyl O, OPLS
  LNL   LNL  1        14.0067      0.000       A    0.325      0.7107   ;Nitrogen, OPLS
   LC   LC   1        12.0110      0.000       A    0.37499    0.43967   ;Carbonyl C, OPLS
  LH1   LH1  1        13.0190      0.000       A    0.38002    0.33451   ;CH1, OPLS
  LH2   LH2  1        14.0270      0.000       A    0.3905     0.49353    ;CH2, OPLS
   LP   LP   1        30.9738      0.000       A    0.37400    0.83653   ;phosphor, OPLS
  LOS   LOS  1        15.9994      0.000       A    0.29285    1.0158    ;ester oxygen, OPLS
  LP2   LP2  1        14.0270      0.000       A    0.29999    0.87809   ;RB CH2, Bergers LJ
  LP3   LP3  1        15.0350      0.000       A    0.396      0.568937  ;RB CH3, Bergers LJ
  LC3   LC3  1        15.0350      0.000       A    0.39601    0.67601   ;CH3, OPLS
  LC2   LC2  1        14.0270      0.000       A    0.3798     0.49419   ;CH2, OPLS
 .......................OPLS lines................................
 
[ pairtypes ]
  ; i    j    func   sigma       epsilon
   LO    LO     1 0.29604      0.05482
   LO   LOM     1 0.29604      0.05482    
   LO  opls_113 1 0.30632      0.04733    
   LO   LNL     1 0.31018      0.04938    
   LO    LC     1 0.33319      0.0388    
   LO   LH1     1 0.33542      0.03383    
   LO   LH2     1 0.34001      0.04111    
   LO    LP     1 0.33275      0.05353    
   LO   LOS     1 0.29799      0.0549     
   LO   LP2     1 0.34237      0.03614    
   LO   LP3     1 0.34239      0.04414    
   LO   LC3     1 0.34238      0.04559    
   LO   LC2     1 0.33539      0.04115    
  LOM   LOM     1 0.29604      0.05482    
  LOM  opls_113 1 0.30632      0.04733    
  LOM   LNL     1 0.31018      0.04938    
  LOM    LC     1 0.33319      0.0388    
  LOM   LH1     1 0.33542      0.03383    
  LOM   LH2     1 0.34001      0.04111    
  LOM    LP     1 0.33275      0.05353    
  LOM   LOS     1 0.29799      0.0549     
  LOM   LP2     1 0.34237      0.03614    
  LOM   LP3     1 0.34239      0.04414    
  LOM   LC3     1 0.34238      0.04559    
  LOM   LC2     1 0.33539      0.04115    
opls_113 LNL     1 0.32095      0.04262    
opls_113 LC     1 0.34478      0.03347    
opls_113 LH1     1 0.34708      0.02921    
opls_113 LH2     1 0.35181      0.0355     
opls_113 LP     1 0.3443       0.04621    
opls_113 LOS     1 0.30836      0.04737    
opls_113 LP2     1 0.35427      0.0312     
opls_113 LP3     1 0.35427      0.03812    
opls_113 LC3     1 0.35428      0.03936    
opls_113 LC2     1 0.34705      0.03551    
  LNL    LNL     1 0.325        0.04446    
  LNL    LC     1 0.34912      0.03492    
  LNL   LH1     1 0.35145      0.03047    
  LNL   LH2     1 0.35625      0.03703   
  LNL    LP     1 0.34864      0.04822     
  LNL   LOS     1 0.31224      0.04944    
  LNL   LP2     1 0.35875      0.03254    
  LNL   LP3     1 0.35877      0.03975    
  LNL   LC3     1 0.35875      0.04106    
  LNL   LC2     1 0.35139      0.03707    
   LC    LC     1 0.37504      0.2743     
   LC   LH1     1 0.37751      0.02395    
   LC   LH2     1 0.3827       0.02908    
   LC    LP     1 0.37452      0.03787    
   LC   LOS     1 0.33542      0.03882    
   LC   LP2     1 0.38535      0.25565    
   LC   LP3     1 0.38539      0.03122    
   LC   LC3     1 0.38537      0.03225    
   LC   LC2     1 0.37751      0.02909    
  LH1   LH1     1 0.38004      0.02089    
  LH1   LH2     1 0.38525      0.02538     
  LH1    LP     1 0.37701      0.03305    
  LH1   LOS     1 0.33765      0.03388    
  LH1   LP2     1 0.38793      0.0223    
  LH1   LP3     1 0.38793      0.02724     
  LH1   LC3     1 0.38794      0.02814    
  LH1   LC2     1 0.38003      0.02539    
  LH2   LH2     1 0.39054      0.03082    
  LH2    LP     1 0.38218      0.04016    
  LH2   LOS     1 0.34227      0.04115    
  LH2   LP2     1 0.39324      0.0271     
  LH2   LP3     1 0.39328      0.03309    
  LH2   LC3     1 0.39324      0.03421    
  LH2   LC2     1 0.38523      0.03085    
   LP    LP     1 0.37399      0.0523    
   LP   LOS     1 0.33496      0.05359     
   LP   LP2     1 0.38483      0.03529    
   LP   LP3     1 0.38489      0.04306    
   LP   LC3     1 0.38487      0.04451    
   LP   LC2     1 0.37699      0.04017    
  LOS   LOS     1 0.29998      0.05495    
  LOS   LP2     1 0.34464      0.36185    
  LOS   LP3     1 0.34468      0.04419    
  LOS   LC3     1 0.34466      0.04564    
  LOS   LC2     1 0.33762      0.04118    
  LP2   LP2     1 0.39596      0.02382    
  LP2   LP3     1 0.396        0.02909    
  LP2   LC3     1 0.39599      0.03005    
  LP2   LC2     1 0.38789      0.02712    
  LP3   LP3     1 0.39601      0.03556    
  LP3   LC3     1 0.396        0.03673    
  LP3   LC2     1 0.38792      0.03313    
  LC3   LC3     1 0.39599      0.03793    
  LC3   LC2     1 0.38791      0.03422    
  LC2   LC2     1 0.37998      0.03088    
                                                                                
[ dihedraltypes ]
LP2 LP2  3   9.2789   12.156  -13.120 -3.0597 26.240 -31.495
LH2 LH2  3   9.2789   12.156  -13.120 -3.0597 26.240 -31.495

the dmpcopls.itp is:

[ moleculetype ]

;   name  nrexcl
  DMPC       3

[ atoms ]
;     id   atype   resnr resname   aname    cgnr  charge    mass
       1     LC3       1   DMPC      CN1       0  0.4000 15.0350
       2     LC3       1   DMPC      CN2       0  0.4000 15.0350
       3     LC3       1   DMPC      CN3       0  0.4000 15.0350
       4     LNL       1   DMPC      NTM       0 -0.5000 14.0067
       5     LH2       1   DMPC       CA       0  0.3000 14.0270
       6     LC2       1   DMPC       CB       1  0.4000 14.0270
       7     LOS       1   DMPC       OA       1 -0.8000 15.9994
       8      LP       1   DMPC        P       1  1.7000 30.9738
       9     LOM       1   DMPC       OB       1 -0.8000 15.9994
      10     LOM       1   DMPC       OC       1 -0.8000 15.9994
      11     LOS       1   DMPC       OD       1 -0.7000 15.9994
      12     LC2       1   DMPC       CC       2  0.4000 14.0270
      13     LH1       1   DMPC       CD       2  0.3000 13.0190
      14     LOS       1   DMPC       OE       2 -0.7000 15.9994
      15      LC       1   DMPC      C2A       2  0.7000 12.0110
      16      LO       1   DMPC       OF       2 -0.7000 15.9994
      17     LP2       1   DMPC      C2B       3  0.0000 14.0270
      18     LP2       1   DMPC      C2C       4  0.0000 14.0270
      19     LP2       1   DMPC      C2D       5  0.0000 14.0270
      20     LP2       1   DMPC      C2E       6  0.0000 14.0270
      21     LP2       1   DMPC      C2F       7  0.0000 14.0270
      22     LP2       1   DMPC      C2G       8  0.0000 14.0270
      23     LP2       1   DMPC      C2H       9  0.0000 14.0270
      24     LP2       1   DMPC      C2I      10  0.0000 14.0270
      25     LP2       1   DMPC      C2J      11  0.0000 14.0270
      26     LP2       1   DMPC      C2K      12  0.0000 14.0270
      27     LP2       1   DMPC      C2L      13  0.0000 14.0270
      28     LP2       1   DMPC      C2M      14  0.0000 14.0270
      29     LP3       1   DMPC      C2N      15  0.0000 15.0350
      30     LC2       1   DMPC       CE      18  0.5000 14.0270
      31     LOS       1   DMPC       OG      18 -0.7000 15.9994
      32      LC       1   DMPC      C1A      18  0.8000 12.0110
      33      LO       1   DMPC       OH      18 -0.6000 15.9994
      34     LP2       1   DMPC      C1B      19  0.0000 14.0270
      35     LP2       1   DMPC      C1C      20  0.0000 14.0270
      36     LP2       1   DMPC      C1D      21  0.0000 14.0270
      37     LP2       1   DMPC      C1E      22  0.0000 14.0270
      38     LP2       1   DMPC      C1F      23  0.0000 14.0270
      39     LP2       1   DMPC      C1G      24  0.0000 14.0270
      40     LP2       1   DMPC      C1H      25  0.0000 14.0270
      41     LP2       1   DMPC      C1I      26  0.0000 14.0270
      42     LP2       1   DMPC      C1J      27  0.0000 14.0270
      43     LP2       1   DMPC      C1K      28  0.0000 14.0270
      44     LP2       1   DMPC      C1L      29  0.0000 14.0270
      45     LP2       1   DMPC      C1M      30  0.0000 14.0270
      46     LP3       1   DMPC      C1N      31  0.0000 15.0350

[ bonds ]
;     ai      aj    func          b0          cb
       1       4       1 0.14700E+00 0.37660E+06
       2       4       1 0.14700E+00 0.37660E+06
       3       4       1 0.14700E+00 0.37660E+06
       4       5       1 0.14700E+00 0.37660E+06
       5       6       1 0.15300E+00 0.33470E+06
       6       7       1 0.14300E+00 0.33470E+06
       7       8       1 0.16100E+00 0.25100E+06
       8       9       1 0.14800E+00 0.33470E+06
       8      10       1 0.14800E+00 0.33470E+06
       8      11       1 0.16100E+00 0.25100E+06
      11      12       1 0.14300E+00 0.33470E+06
      12      13       1 0.15300E+00 0.33470E+06
      13      14       1 0.14300E+00 0.33470E+06
      14      15       1 0.13600E+00 0.37660E+06
      15      16       1 0.12300E+00 0.50210E+06
      15      17       1 0.15300E+00 0.33470E+06
      17      18       1 0.15300E+00 0.33470E+06
      18      19       1 0.15300E+00 0.33470E+06
      19      20       1 0.15300E+00 0.33470E+06
      20      21       1 0.15300E+00 0.33470E+06
      21      22       1 0.15300E+00 0.33470E+06
      22      23       1 0.15300E+00 0.33470E+06
      23      24       1 0.15300E+00 0.33470E+06
      24      25       1 0.15300E+00 0.33470E+06
      25      26       1 0.15300E+00 0.33470E+06
      26      27       1 0.15300E+00 0.33470E+06
      27      28       1 0.15300E+00 0.33470E+06
      28      29       1 0.15300E+00 0.33470E+06
      13      30       1 0.15300E+00 0.33470E+06
      30      31       1 0.14300E+00 0.33470E+06
      31      32       1 0.13600E+00 0.37660E+06
      32      33       1 0.12300E+00 0.50210E+06
      32      34       1 0.15300E+00 0.33470E+06
      34      35       1 0.15300E+00 0.33470E+06
      35      36       1 0.15300E+00 0.33470E+06
      36      37       1 0.15300E+00 0.33470E+06
      37      38       1 0.15300E+00 0.33470E+06
      38      39       1 0.15300E+00 0.33470E+06
      39      40       1 0.15300E+00 0.33470E+06
      40      41       1 0.15300E+00 0.33470E+06
      41      42       1 0.15300E+00 0.33470E+06
      42      43       1 0.15300E+00 0.33470E+06
      43      44       1 0.15300E+00 0.33470E+06
      44      45       1 0.15300E+00 0.33470E+06
      45      46       1 0.15300E+00 0.33470E+06

[ pairs ]
;Here is the first copy
      ai      aj    func          c6         c12
       1       6       1
       2       6       1
       3       6       1
       4       7       1
       5       8       1
       6       9       1
       6      10       1
       6      11       1
       7      12       1
       8      13       1
       9      12       1
      10      12       1
      11      14       1
      11      30       1
      12      15       1
      12      31       1
      13      16       1
      13      17       1
      13      32       1
      14      18       1
      14      31       1
      15      19       1
      15      30       1
      16      18       1
      30      33       1
      30      34       1
      31      35       1
      32      36       1
      33      35       1
; Here is the second copy. Only use this with the modified LJ-14 epsilon values
       1       6       1
       2       6       1
       3       6       1
       4       7       1
       5       8       1
       6       9       1
       6      10       1
       6      11       1
       7      12       1
       8      13       1
       9      12       1
      10      12       1
      11      14       1
      11      30       1
      12      15       1
      12      31       1
      13      16       1
      13      17       1
      13      32       1
      14      18       1
      14      31       1
      15      19       1
      15      30       1
      16      18       1
      30      33       1
      30      34       1
      31      35       1
      32      36       1
      33      35       1

[ angles ]
;     ai      aj      ak    func          t0          ct
       1       4       2       1 0.10950E+03 0.46020E+03
       1       4       3       1 0.10950E+03 0.46020E+03
       1       4       5       1 0.10950E+03 0.46020E+03
       2       4       3       1 0.10950E+03 0.46020E+03
       2       4       5       1 0.10950E+03 0.46020E+03
       3       4       5       1 0.10950E+03 0.46020E+03
       4       5       6       1 0.10950E+03 0.46020E+03
       5       6       7       1 0.10950E+03 0.46020E+03
       6       7       8       1 0.12000E+03 0.39750E+03
       7       8       9       1 0.10950E+03 0.39750E+03
       7       8      10       1 0.10950E+03 0.39750E+03
       7       8      11       1 0.10300E+03 0.39750E+03
       9       8      10       1 0.12000E+03 0.58580E+03
       9       8      11       1 0.10950E+03 0.39750E+03
      10       8      11       1 0.10950E+03 0.39750E+03
       8      11      12       1 0.12000E+03 0.39750E+03
      11      12      13       1 0.11100E+03 0.46020E+03
      12      13      14       1 0.10950E+03 0.46020E+03
      12      13      30       1 0.10950E+03 0.46020E+03
      14      13      30       1 0.10950E+03 0.46020E+03
      13      14      15       1 0.12000E+03 0.41840E+03
      14      15      16       1 0.12400E+03 0.50210E+03
      14      15      17       1 0.11500E+03 0.50210E+03
      16      15      17       1 0.12100E+03 0.50210E+03
      15      17      18       1 0.11100E+03 0.46020E+03
      17      18      19       1 0.11100E+03 0.46020E+03
      18      19      20       1 0.11100E+03 0.46020E+03
      19      20      21       1 0.11100E+03 0.46020E+03
      20      21      22       1 0.11100E+03 0.46020E+03
      21      22      23       1 0.11100E+03 0.46020E+03
      22      23      24       1 0.11100E+03 0.46020E+03
      23      24      25       1 0.11100E+03 0.46020E+03
      24      25      26       1 0.11100E+03 0.46020E+03
      25      26      27       1 0.11100E+03 0.46020E+03
      26      27      28       1 0.11100E+03 0.46020E+03
      27      28      29       1 0.11100E+03 0.46020E+03
      13      30      31       1 0.11100E+03 0.46020E+03
      30      31      32       1 0.12000E+03 0.41840E+03
      31      32      33       1 0.12400E+03 0.50210E+03
      31      32      34       1 0.11500E+03 0.50210E+03
      33      32      34       1 0.12100E+03 0.50210E+03
      32      34      35       1 0.11100E+03 0.46020E+03
      34      35      36       1 0.11100E+03 0.46020E+03
      35      36      37       1 0.11100E+03 0.46020E+03
      36      37      38       1 0.11100E+03 0.46020E+03
      37      38      39       1 0.11100E+03 0.46020E+03
      38      39      40       1 0.11100E+03 0.46020E+03
      39      40      41       1 0.11100E+03 0.46020E+03
      40      41      42       1 0.11100E+03 0.46020E+03
      41      42      43       1 0.11100E+03 0.46020E+03
      42      43      44       1 0.11100E+03 0.46020E+03
      43      44      45       1 0.11100E+03 0.46020E+03
      44      45      46       1 0.11100E+03 0.46020E+03

[ dihedrals ]
; These are the improper dihedrals
;     ai      aj      ak      al    func          q0          cq
      13      14      30      12       2 0.35264E+02 0.33470E+03
      15      14      17      16       2 0.00000E+00 0.16740E+03
      32      31      34      33       2 0.00000E+00 0.16740E+03

[ dihedrals ]
; These are the proper dihedrals
;     ai      aj      ak      al    func        phi0        cphi    mult
       1       4       5       6       1 0.00000E+00 0.37656E+01       3
       4       5       6       7       1 0.00000E+00 0.58576E+01       3
       5       6       7       8       1 0.00000E+00 0.37656E+01       3
       6       7       8      11       1 0.00000E+00 0.10460E+01       3
       7       8      11      12       1 0.00000E+00 0.10460E+01       3
       8      11      12      13       1 0.00000E+00 0.37656E+01       3
      11      12      13      14       1 0.00000E+00 0.20920E+01       2
      12      13      14      15       1 0.00000E+00 0.37656E+01       3
      13      14      15      17       1 0.18000E+03 0.16736E+02       2
      14      15      17      18       1 0.00000E+00 0.41840E+00       6
      15      17      18      19       1 0.00000E+00 0.58576E+01       3
      17      18      19      20       3
      18      19      20      21       3
      19      20      21      22       3
      20      21      22      23       3
      21      22      23      24       3
      22      23      24      25       3
      23      24      25      26       3
      24      25      26      27       3
      25      26      27      28       3
      26      27      28      29       3
      14      13      30      31       1 0.00000E+00 0.20920E+01       2
      13      30      31      32       1 0.00000E+00 0.37656E+01       3
      30      31      32      34       1 0.18000E+03 0.16736E+02       2
      31      32      34      35       1 0.00000E+00 0.41840E+00       6
      32      34      35      36       1 0.00000E+00 0.58576E+01       3
      34      35      36      37       3
      35      36      37      38       3
      36      37      38      39       3
      37      38      39      40       3
      38      39      40      41       3
      39      40      41      42       3
      40      41      42      43       3
      41      42      43      44       3
      42      43      44      45       3
      43      44      45      46       3

#ifdef DMPC_POSRES
; position restraints for DMPC
[ position_restraints ]
; atom  type      fx      fy      fz
     1     1   1000.0  1000.0  1000.0
     2     1   1000.0  1000.0  1000.0
     3     1   1000.0  1000.0  1000.0
     4     1   1000.0  1000.0  1000.0
     5     1   1000.0  1000.0  1000.0
     6     1   1000.0  1000.0  1000.0
     7     1   1000.0  1000.0  1000.0
     8     1   1000.0  1000.0  1000.0
     9     1   1000.0  1000.0  1000.0
    10     1   1000.0  1000.0  1000.0
    11     1   1000.0  1000.0  1000.0
    12     1   1000.0  1000.0  1000.0
    13     1   1000.0  1000.0  1000.0
    14     1   1000.0  1000.0  1000.0
    15     1   1000.0  1000.0  1000.0
    16     1   1000.0  1000.0  1000.0
    17     1   1000.0  1000.0  1000.0
    18     1   1000.0  1000.0  1000.0
    19     1   1000.0  1000.0  1000.0
    20     1   1000.0  1000.0  1000.0
    21     1   1000.0  1000.0  1000.0
    22     1   1000.0  1000.0  1000.0
    23     1   1000.0  1000.0  1000.0
    24     1   1000.0  1000.0  1000.0
    25     1   1000.0  1000.0  1000.0
    26     1   1000.0  1000.0  1000.0
    27     1   1000.0  1000.0  1000.0
    28     1   1000.0  1000.0  1000.0
    29     1   1000.0  1000.0  1000.0
    30     1   1000.0  1000.0  1000.0
    31     1   1000.0  1000.0  1000.0
    32     1   1000.0  1000.0  1000.0
    33     1   1000.0  1000.0  1000.0
    34     1   1000.0  1000.0  1000.0
    35     1   1000.0  1000.0  1000.0
    36     1   1000.0  1000.0  1000.0
    37     1   1000.0  1000.0  1000.0
    38     1   1000.0  1000.0  1000.0
    39     1   1000.0  1000.0  1000.0
    40     1   1000.0  1000.0  1000.0
    41     1   1000.0  1000.0  1000.0
    42     1   1000.0  1000.0  1000.0
    43     1   1000.0  1000.0  1000.0
    44     1   1000.0  1000.0  1000.0
    45     1   1000.0  1000.0  1000.0
    46     1   1000.0  1000.0  1000.0
#endif

Is my 1-4 scaling correct? I am confused about my topologies. Please help.


Ms. Anindita Gayen

C/O Dr. Chaitali Mukhopadhyay

Senior Research Fellow

University of Calcutta


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