It doesn't have error message but the file was incomplete because it doesn't
contain the RMS calculations at the end.
Now i am trying with ntpr=1
Regards,
Vani
On Thu, Mar 24, 2011 at 12:56 PM, Jason Swails <jason.swails.gmail.com>wrote:
> I don't see any error message in your email, so it's impossible to diagnose
> remotely. Can you find any error message from the standard output/standard
> error streams? A cluster should save those to separate files if that's
> where you're running.
>
> Another common suggestion is to run with ntpr=1 and take a look at what
> happens at each step to narrow in on what's happening.
>
> Good luck,
> Jason
>
> On Thu, Mar 24, 2011 at 10:47 AM, vani panguluri <vanipanguluri.gmail.com
> >wrote:
>
> > hello amber users,
> >
> > I am using the sander for md simulation during the process it was
> > terminating in the middle and the out in the heat.out file was like this
> > *sander -O -i heat.in -o heat.out -p pdb1k4u_apo2_sol.prmtop -c min.rst
> -r
> > heat.rst -x heat.mdcrd -ref min.rst*
> >
> > *Output:-*
> > -------------------------------------------------------
> > Amber 11 SANDER 2010
> > -------------------------------------------------------
> >
> > | Run on 03/24/2011 at 10:21:13
> > [-O]verwriting output
> >
> > File Assignments:
> > | MDIN: heat.in
> > | MDOUT: heat.out
> > |INPCRD: min.rst
> > | PARM: pdb1k4u_apo2_sol.prmtop
> > |RESTRT: heat.rst
> > | REFC: min.rst
> > | MDVEL: mdvel
> > | MDEN: mden
> > | MDCRD: heat.mdcrd
> > |MDINFO: mdinfo
> > | MTMD: mtmd
> > |INPDIP: inpdip
> > |RSTDIP: rstdip
> >
> > |INPTRA: inptraj
> > |
> >
> > Here is the input file:
> >
> > heat pdb1k4u_apo2
> > &cntrl
> > imin=0,irest=0,ntx=1,
> > nstlim=25000,dt=0.002,
> > ntc=2,ntf=2,
> > cut=8.0, ntb=1,
> > ntpr=500, ntwx=500,
> > ntt=3, gamma_ln=2.0,
> > tempi=0.0, temp0=300.0,
> > ntr=1,
> > nmropt=1
> > /
> > &wt TYPE='TEMP0', istep1=0, istep2=25000,
> > value1=0.1, value2=300.0, /
> > &wt TYPE='END' /
> > BlAH
> > 2.0
> > RES 1 242
> > END
> > END
> >
> >
> >
> >
> --------------------------------------------------------------------------------
> > 1. RESOURCE USE:
> >
> >
> --------------------------------------------------------------------------------
> >
> > | Flags:
> > getting new box info from bottom of inpcrd
> > | INFO: Old style inpcrd file read
> >
> > | peek_ewald_inpcrd: Box info found
> > |Largest sphere to fit in unit cell has radius = 32.368
> > | New format PARM file being parsed.
> > | Version = 1.000 Date = 03/23/11 Time = 00:31:52
> > NATOM = 24182 NTYPES = 16 NBONH = 23441 MBONA = 753
> > NTHETH = 1721 MTHETA = 1017 NPHIH = 3206 MPHIA = 2555
> > NHPARM = 0 NPARM = 0 NNB = 38524 NRES = 7659
> > NBONA = 753 NTHETA = 1017 NPHIA = 2555 NUMBND = 47
> > NUMANG = 87 NPTRA = 41 NATYP = 35 NPHB = 1
> > IFBOX = 1 NMXRS = 24 IFCAP = 0 NEXTRA = 0
> > NCOPY = 0
> >
> >
> > | Memory Use Allocated
> > | Real 1342688
> > | Hollerith 80207
> > | Integer 828340
> > | Max Pairs 8060666
> > | nblistReal 290184
> > | nblist Int 1300633
> > | Total 52873 kbytes
> >
> > | Note: 1-4 EEL scale factors were NOT found in the topology file.
> > | Using default value of 1.2.
> >
> > | Note: 1-4 VDW scale factors were NOT found in the topology file.
> > | Using default value of 2.0.
> > | Duplicated 0 dihedrals
> > | Duplicated 0 dihedrals
> >
> > BOX TYPE: RECTILINEAR
> >
> >
> >
> --------------------------------------------------------------------------------
> > 2. CONTROL DATA FOR THE RUN
> >
> >
> --------------------------------------------------------------------------------
> >
> >
> >
> > General flags:
> > imin = 0, nmropt = 1
> >
> > Nature and format of input:
> > ntx = 1, irest = 0, ntrx = 1
> >
> > Nature and format of output:
> > ntxo = 1, ntpr = 500, ntrx = 1, ntwr =
> > 500
> > iwrap = 0, ntwx = 500, ntwv = 0, ntwe =
> > 0
> > ioutfm = 0, ntwprt = 0, idecomp = 0, rbornstat=
> > 0
> >
> > Potential function:
> > ntf = 2, ntb = 1, igb = 0, nsnb =
> > 25
> > ipol = 0, gbsa = 0, iesp = 0
> > dielc = 1.00000, cut = 8.00000, intdiel = 1.00000
> >
> > Frozen or restrained atoms:
> > ibelly = 0, ntr = 1
> >
> > Molecular dynamics:
> > nstlim = 25000, nscm = 0, nrespa = 1
> > t = 0.00000, dt = 0.00200, vlimit = 20.00000
> >
> > Langevin dynamics temperature regulation:
> > ig = 71277
> > temp0 = 300.00000, tempi = 0.00000, gamma_ln= 2.00000
> >
> > SHAKE:
> > ntc = 2, jfastw = 0
> > tol = 0.00001
> >
> > NMR refinement options:
> > iscale = 0, noeskp = 1, ipnlty = 1, mxsub =
> > 1
> > scalm = 100.00000, pencut = 0.10000, tausw = 0.10000
> >
> > Ewald parameters:
> > verbose = 0, ew_type = 0, nbflag = 1, use_pme =
> > 1
> > vdwmeth = 1, eedmeth = 1, netfrc = 1
> > Box X = 64.737 Box Y = 70.948 Box Z = 67.136
> > Alpha = 90.000 Beta = 90.000 Gamma = 90.000
> > NFFT1 = 64 NFFT2 = 72 NFFT3 = 72
> > Cutoff= 8.000 Tol =0.100E-04
> > Ewald Coefficient = 0.34864
> > Interpolation order = 4
> >
> > LOADING THE CONSTRAINED ATOMS AS GROUPS
> >
> >
> > 5. REFERENCE ATOM COORDINATES
> >
> >
> > ----- READING GROUP 1; TITLE:
> > BlAH
> >
> > GROUP 1 HAS HARMONIC CONSTRAINTS 2.00000
> > GRP 1 RES 1 TO 242
> > Number of atoms in this group = 1931
> > ----- END OF GROUP READ -----
> >
> >
> >
> --------------------------------------------------------------------------------
> > 3. ATOMIC COORDINATES AND VELOCITIES
> >
> >
> --------------------------------------------------------------------------------
> >
> >
> > begin time read from input coords = 0.000 ps
> >
> >
> >
> > Begin reading energy term weight changes/NMR restraints
> > WEIGHT CHANGES:
> > TEMP0 0 25000 0.100000 300.000000 0 0
> >
> > RESTRAINTS:
> > No valid redirection requests found
> > ** No restraint defined **
> >
> > Done reading weight changes/NMR restraints
> >
> >
> > Number of triangulated 3-point waters found: 7564
> >
> > Sum of charges from parm topology file = -3.00000003
> > Assuming uniform neutralizing plasma
> >
> >
> >
> --------------------------------------------------------------------------------
> > 4. RESULTS
> >
> >
> --------------------------------------------------------------------------------
> >
> > | # of SOLUTE degrees of freedom (RNDFP): 49105.
> > | # of SOLVENT degrees of freedom (RNDFS): 0.
> > | NDFMIN = 49105. NUM_NOSHAKE = 0 CORRECTED RNDFP =
> > 49105.
> > | TOTAL # of degrees of freedom (RNDF) = 49105.
> > ---------------------------------------------------
> > APPROXIMATING switch and d/dx switch using CUBIC SPLINE INTERPOLATION
> > using 5000.0 points per unit in tabled values
> > TESTING RELATIVE ERROR over r ranging from 0.0 to cutoff
> > | CHECK switch(x): max rel err = 0.2738E-14 at 2.422500
> > | CHECK d/dx switch(x): max rel err = 0.8314E-11 at 2.736960
> > ---------------------------------------------------
> > | Local SIZE OF NONBOND LIST = 4134189
> > | TOTAL SIZE OF NONBOND LIST = 4134189
> >
> > NSTEP = 0 TIME(PS) = 0.000 TEMP(K) = 0.00 PRESS =
> > 0.0
> > Etot = -67866.2635 EKtot = 0.0000 EPtot =
> > -67866.2635
> > BOND = 31.0171 ANGLE = 169.8340 DIHED =
> > 1090.8243
> > 1-4 NB = 424.8482 1-4 EEL = 4660.1412 VDWAALS =
> > 4589.3108
> > EELEC = -78832.2390 EHBOND = 0.0000 RESTRAINT =
> > 0.0000
> > Ewald error estimate: 0.7614E-03
> >
> >
> ------------------------------------------------------------------------------
> >
> > NMR restraints: Bond = 0.000 Angle = 0.000 Torsion =
> 0.000
> >
> >
> ===============================================================================
> >
> > NSTEP = 500 TIME(PS) = 1.000 TEMP(K) = 47.66 PRESS =
> > 0.0
> > Etot = -85453.1115 EKtot = 2325.4435 EPtot =
> > -87778.5550
> > BOND = 43.4984 ANGLE = 206.9241 DIHED =
> > 1002.0524
> > 1-4 NB = 342.7681 1-4 EEL = 4572.8643 VDWAALS =
> > 15581.9365
> > EELEC = -109890.0083 EHBOND = 0.0000 RESTRAINT =
> > 361.4094
> > EAMBER (non-restraint) = -88139.9645
> > Ewald error estimate: 0.2329E-03
> >
> >
> ------------------------------------------------------------------------------
> >
> > NMR restraints: Bond = 0.000 Angle = 0.000 Torsion =
> 0.000
> >
> >
> ===============================================================================
> >
> > NSTEP = 1000 TIME(PS) = 2.000 TEMP(K) = 18.63 PRESS =
> > 0.0
> > Etot = -89269.2449 EKtot = 908.9589 EPtot =
> > -90178.2037
> > BOND = 41.6598 ANGLE = 205.1703 DIHED =
> > 1003.6214
> > 1-4 NB = 345.2256 1-4 EEL = 4582.3395 VDWAALS =
> > 17090.0126
> > EELEC = -113778.0157 EHBOND = 0.0000 RESTRAINT =
> > 331.7828
> > EAMBER (non-restraint) = -90509.9866
> > Ewald error estimate: 0.3114E-03
> >
> >
> ------------------------------------------------------------------------------
> >
> > NMR restraints: Bond = 0.000 Angle = 0.000 Torsion =
> 0.000
> >
> >
> ===============================================================================
> >
> > NSTEP = 1500 TIME(PS) = 3.000 TEMP(K) = 17.59 PRESS =
> > 0.0
> > Etot = -89721.9185 EKtot = 858.2083 EPtot =
> > -90580.1268
> > BOND = 48.4207 ANGLE = 210.8804 DIHED =
> > 1001.3563
> > 1-4 NB = 347.9077 1-4 EEL = 4577.7689 VDWAALS =
> > 17267.1602
> > EELEC = -114356.4861 EHBOND = 0.0000 RESTRAINT =
> > 322.8651
> > EAMBER (non-restraint) = -90902.9919
> > Ewald error estimate: 0.1980E-03
> >
> >
> ------------------------------------------------------------------------------
> >
> > NMR restraints: Bond = 0.000 Angle = 0.000 Torsion =
> 0.000
> >
> >
> ===============================================================================
> >
> > NSTEP = 2000 TIME(PS) = 4.000 TEMP(K) = 22.00 PRESS =
> > 0.0
> > Etot = -89430.1844 EKtot = 1073.3741 EPtot =
> > -90503.5585
> > BOND = 49.6331 ANGLE = 219.5662 DIHED =
> > 1006.0362
> > 1-4 NB = 347.5233 1-4 EEL = 4572.7148 VDWAALS =
> > 17255.5088
> > EELEC = -114278.2281 EHBOND = 0.0000 RESTRAINT =
> > 323.6872
> > EAMBER (non-restraint) = -90827.2457
> > Ewald error estimate: 0.2090E-03
> >
> >
> ------------------------------------------------------------------------------
> >
> > NMR restraints: Bond = 0.000 Angle = 0.000 Torsion =
> 0.000
> >
> >
> ===============================================================================
> >
> > NSTEP = 2500 TIME(PS) = 5.000 TEMP(K) = 27.74 PRESS =
> > 0.0
> > Etot = -89008.9434 EKtot = 1353.4825 EPtot =
> > -90362.4259
> > BOND = 58.4709 ANGLE = 236.9170 DIHED =
> > 1008.8628
> > 1-4 NB = 348.7314 1-4 EEL = 4569.0384 VDWAALS =
> > 17189.9260
> > EELEC = -114103.0239 EHBOND = 0.0000 RESTRAINT =
> > 328.6515
> > EAMBER (non-restraint) = -90691.0774
> > Ewald error estimate: 0.2593E-03
> >
> >
> ------------------------------------------------------------------------------
> >
> > NMR restraints: Bond = 0.000 Angle = 0.000 Torsion =
> 0.000
> >
> >
> ===============================================================================
> >
> > NSTEP = 3000 TIME(PS) = 6.000 TEMP(K) = 33.60 PRESS =
> > 0.0
> > Etot = -88503.6628 EKtot = 1639.3219 EPtot =
> > -90142.9847
> > BOND = 65.6348 ANGLE = 245.9596 DIHED =
> > 1007.8235
> > 1-4 NB = 349.7460 1-4 EEL = 4572.6333 VDWAALS =
> > 17019.4238
> > EELEC = -113744.3925 EHBOND = 0.0000 RESTRAINT =
> > 340.1869
> > EAMBER (non-restraint) = -90483.1716
> > Ewald error estimate: 0.2305E-03
> >
> >
> ------------------------------------------------------------------------------
> >
> > NMR restraints: Bond = 0.000 Angle = 0.000 Torsion =
> 0.000
> >
> >
> ===============================================================================
> >
> > NSTEP = 3500 TIME(PS) = 7.000 TEMP(K) = 39.08 PRESS =
> > 0.0
> > Etot = -88019.0265 EKtot = 1906.5905 EPtot =
> > -89925.6170
> > BOND = 63.2188 ANGLE = 256.4110 DIHED =
> > 1013.9218
> > 1-4 NB = 348.6459 1-4 EEL = 4587.8149 VDWAALS =
> > 16991.6064
> > EELEC = -113525.9987 EHBOND = 0.0000 RESTRAINT =
> > 338.7630
> > EAMBER (non-restraint) = -90264.3800
> > Ewald error estimate: 0.2235E-03
> >
> >
> ------------------------------------------------------------------------------
> >
> > NMR restraints: Bond = 0.000 Angle = 0.000 Torsion =
> 0.000
> >
> >
> ===============================================================================
> >
> > NSTEP = 4000 TIME(PS) = 8.000 TEMP(K) = 44.89 PRESS =
> > 0.0
> > Etot = -87487.5513 EKtot = 2190.4102 EPtot =
> > -89677.9615
> > BOND = 70.5605 ANGLE = 267.6956 DIHED =
> > 1013.6091
> > 1-4 NB = 352.1245 1-4 EEL = 4581.7202 VDWAALS =
> > 16856.0294
> > EELEC = -113149.4318 EHBOND = 0.0000 RESTRAINT =
> > 329.7311
> > EAMBER (non-restraint) = -90007.6926
> > Ewald error estimate: 0.2511E-03
> >
> >
> ------------------------------------------------------------------------------
> >
> > NMR restraints: Bond = 0.000 Angle = 0.000 Torsion =
> 0.000
> >
> >
> ===============================================================================
> >
> > NSTEP = 4500 TIME(PS) = 9.000 TEMP(K) = 51.23 PRESS =
> > 0.0
> > Etot = -86949.7560 EKtot = 2499.7782 EPtot =
> > -89449.5342
> > BOND = 74.2649 ANGLE = 274.6854 DIHED =
> > 1010.1647
> > 1-4 NB = 348.0945 1-4 EEL = 4577.9661 VDWAALS =
> > 16890.9233
> > EELEC = -112959.6407 EHBOND = 0.0000 RESTRAINT =
> > 334.0074
> > EAMBER (non-restraint) = -89783.5417
> > Ewald error estimate: 0.2989E-03
> >
> >
> ------------------------------------------------------------------------------
> >
> > NMR restraints: Bond = 0.000 Angle = 0.000 Torsion =
> 0.000
> >
> >
> ===============================================================================
> >
> > NSTEP = 5000 TIME(PS) = 10.000 TEMP(K) = 57.09 PRESS =
> > 0.0
> > Etot = -86383.6060 EKtot = 2785.6540 EPtot =
> > -89169.2600
> > BOND = 80.1776 ANGLE = 291.2072 DIHED =
> > 1015.6714
> > 1-4 NB = 353.7537 1-4 EEL = 4582.2307 VDWAALS =
> > 16656.8709
> > EELEC = -112502.2074 EHBOND = 0.0000 RESTRAINT =
> > 353.0360
> > EAMBER (non-restraint) = -89522.2960
> > Ewald error estimate: 0.2921E-03
> >
> >
> ------------------------------------------------------------------------------
> >
> > NMR restraints: Bond = 0.000 Angle = 0.000 Torsion =
> 0.000
> >
> >
> ===============================================================================
> >
> > NSTEP = 5500 TIME(PS) = 11.000 TEMP(K) = 63.42 PRESS =
> > 0.0
> > Etot = -85829.5087 EKtot = 3094.1893 EPtot =
> > -88923.6981
> > BOND = 77.0232 ANGLE = 309.7384 DIHED =
> > 1012.8366
> > 1-4 NB = 355.3480 1-4 EEL = 4593.4603 VDWAALS =
> > 16624.8220
> > EELEC = -112237.7220 EHBOND = 0.0000 RESTRAINT =
> > 340.7954
> > EAMBER (non-restraint) = -89264.4935
> > Ewald error estimate: 0.3281E-03
> >
> >
> ------------------------------------------------------------------------------
> >
> > NMR restraints: Bond = 0.000 Angle = 0.000 Torsion =
> 0.000
> >
> >
> ===============================================================================
> >
> > NSTEP = 6000 TIME(PS) = 12.000 TEMP(K) = 68.70 PRESS =
> > 0.0
> > Etot = -85352.8414 EKtot = 3351.7417 EPtot =
> > -88704.5830
> > BOND = 85.4318 ANGLE = 318.3891 DIHED =
> > 1020.2065
> > 1-4 NB = 353.6599 1-4 EEL = 4583.8022 VDWAALS =
> > 16618.2103
> > EELEC = -112037.8932 EHBOND = 0.0000 RESTRAINT =
> > 353.6104
> > EAMBER (non-restraint) = -89058.1934
> > Ewald error estimate: 0.3406E-03
> >
> >
> ------------------------------------------------------------------------------
> >
> > NMR restraints: Bond = 0.000 Angle = 0.000 Torsion =
> 0.000
> >
> >
> ===============================================================================
> >
> > NSTEP = 6500 TIME(PS) = 13.000 TEMP(K) = 75.35 PRESS =
> > 0.0
> > Etot = -84795.5885 EKtot = 3676.5201 EPtot =
> > -88472.1086
> > BOND = 93.3939 ANGLE = 331.9302 DIHED =
> > 1019.2704
> > 1-4 NB = 354.4867 1-4 EEL = 4586.6428 VDWAALS =
> > 16343.5169
> > EELEC = -111568.0050 EHBOND = 0.0000 RESTRAINT =
> > 366.6556
> > EAMBER (non-restraint) = -88838.7642
> > Ewald error estimate: 0.2858E-03
> >
> >
> ------------------------------------------------------------------------------
> >
> > NMR restraints: Bond = 0.000 Angle = 0.000 Torsion =
> 0.000
> >
> >
> ===============================================================================
> >
> > NSTEP = 7000 TIME(PS) = 14.000 TEMP(K) = 81.70 PRESS =
> > 0.0
> > Etot = -84231.4324 EKtot = 3986.2318 EPtot =
> > -88217.6642
> > BOND = 91.0481 ANGLE = 331.4721 DIHED =
> > 1022.4532
> > 1-4 NB = 357.9641 1-4 EEL = 4573.0827 VDWAALS =
> > 16436.7602
> > EELEC = -111396.0460 EHBOND = 0.0000 RESTRAINT =
> > 365.6016
> > EAMBER (non-restraint) = -88583.2658
> > Ewald error estimate: 0.3731E-03
> >
> >
> ------------------------------------------------------------------------------
> >
> > NMR restraints: Bond = 0.000 Angle = 0.000 Torsion =
> 0.000
> >
> >
> ===============================================================================
> >
> > NSTEP = 7500 TIME(PS) = 15.000 TEMP(K) = 88.20 PRESS =
> > 0.0
> > Etot = -83664.6370 EKtot = 4303.5114 EPtot =
> > -87968.1484
> > BOND = 105.3223 ANGLE = 342.3931 DIHED =
> > 1014.6877
> > 1-4 NB = 354.3987 1-4 EEL = 4585.1425 VDWAALS =
> > 16297.6518
> > EELEC = -111042.1434 EHBOND = 0.0000 RESTRAINT =
> > 374.3989
> > EAMBER (non-restraint) = -88342.5473
> > Ewald error estimate: 0.3299E-03
> >
> >
> ------------------------------------------------------------------------------
> >
> > NMR restraints: Bond = 0.000 Angle = 0.000 Torsion =
> 0.000
> >
> >
> ===============================================================================
> >
> > NSTEP = 8000 TIME(PS) = 16.000 TEMP(K) = 93.03 PRESS =
> > 0.0
> > Etot = -83169.4618 EKtot = 4538.9027 EPtot =
> > -87708.3646
> > BOND = 103.9290 ANGLE = 352.7595 DIHED =
> > 1032.9506
> > 1-4 NB = 361.4146 1-4 EEL = 4582.1795 VDWAALS =
> > 16100.3950
> > EELEC = -110608.5699 EHBOND = 0.0000 RESTRAINT =
> > 366.5770
> > EAMBER (non-restraint) = -88074.9416
> > Ewald error estimate: 0.3722E-03
> >
> >
> ------------------------------------------------------------------------------
> >
> > NMR restraints: Bond = 0.000 Angle = 0.000 Torsion =
> 0.000
> >
> >
> ===============================================================================
> >
> > NSTEP = 8500 TIME(PS) = 17.000 TEMP(K) = 99.27 PRESS =
> > 0.0
> > Etot = -82627.3099 EKtot = 4843.2214 EPtot =
> > -87470.5313
> > BOND = 113.5459 ANGLE = 362.8084 DIHED =
> > 1027.5293
> > 1-4 NB = 356.3530 1-4 EEL = 4589.4224 VDWAALS =
> > 16074.2522
> > EELEC = -110361.3148 EHBOND = 0.0000 RESTRAINT =
> > 366.8723
> > EAMBER (non-restraint) = -87837.4036
> > Ewald error estimate: 0.3323E-03
> >
> >
> ------------------------------------------------------------------------------
> >
> > NMR restraints: Bond = 0.000 Angle = 0.000 Torsion =
> 0.000
> >
> >
> ===============================================================================
> >
> > NSTEP = 9000 TIME(PS) = 18.000 TEMP(K) = 105.37 PRESS =
> > 0.0
> > Etot = -82115.5757 EKtot = 5141.0624 EPtot =
> > -87256.6381
> > BOND = 119.1134 ANGLE = 374.1381 DIHED =
> > 1036.3070
> > 1-4 NB = 357.5211 1-4 EEL = 4560.3641 VDWAALS =
> > 16001.5727
> > EELEC = -110093.3922 EHBOND = 0.0000 RESTRAINT =
> > 387.7377
> > EAMBER (non-restraint) = -87644.3759
> > Ewald error estimate: 0.3482E-03
> >
> >
> ------------------------------------------------------------------------------
> >
> > NMR restraints: Bond = 0.000 Angle = 0.000 Torsion =
> 0.000
> >
> >
> ===============================================================================
> > "heat.out" 424L, 22218C written
> >
> >
> >
> > Can any check this and tell me where the problem occurs.
> >
> >
> > Regards,
> > Vani
> > _______________________________________________
> > 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 Thu Mar 24 2011 - 11:30:03 PDT
