[gmx-users] Segmentation Fault (Address not mapped)

Justin A. Lemkul jalemkul at vt.edu
Thu Jul 16 22:20:04 CEST 2009



darrellk at ece.ubc.ca wrote:
> Hi Justin,
> Thanks for the explanation of the difference between EM & equilibration.
> Since in my model, I: (i) only have the graphene sheet and ammonia
> molecules spaced reasonably far apart from each other (1332 NH3
> molecules in a 38x38x38 box) and from the graphene sheet (distance
> between the closest ammonia molecule and the graphene sheet is greater
> than the molecular diameter of ammonia - maybe this is too close and
> could be causing my problem?); (ii) freeze the graphene sheet; I am
> thinking equilibration is not required in my model. Please let me know
> if you think I still need to perform equilibration.
> 
> Yes, the EM did converge satisfactorily. Here is the output from EM:
> Steepest Descents converged to Fmax < 250 in 61 steps
> Potential Energy  =  4.6094102e+04
> Maximum force     =  2.4543298e+02 on atom 1
> Norm of force     =  7.5803179e+03
> 
> Is this a reasonable value for FMax?
> 

Your Fmax looks fine.  Why is it necessary to freeze the graphene sheet?  Why 
not use position restraints (to rule out funky behavior of being frozen)?

Did you ever obtain a trajectory with enough frames that you could watch?  What 
happened?

-Justin

> Thanks again for your help.
> 
> Darrell
> 
> 
>> Date: Thu, 16 Jul 2009 07:15:12 -0400
>> From: "Justin A. Lemkul" <jalemkul at vt.edu>
>> Subject: Re: [gmx-users] Segmentation Fault (Address not mapped)
>> To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>> Message-ID: <4A5F0BC0.4020200 at vt.edu>
>> Content-Type: text/plain; charset=ISO-8859-1; format=flowed
>>
>>
>>
>> darrellk at ece.ubc.ca wrote:
>>> Hi Mark,
>>> I do not do any equilibration, I only do energy minimization as in the
>>> "GROMACS Tutorial for Solvation Study of Spider Toxin Peptide". Please
>>> let me know if I need to do equilibration and what is the difference
>>> between energy minimization and equilibration as this is not clear to me.
>>>
>> Did the EM converge satisfactorily?  What was Fmax?
>>
>> Unlike EM, equilibration is an MD process; for a protein system, one generally
>> position-restrains the protein and allows the surrounding solvent to optimize
>> around the structure.
>>
>> -Justin
>>
>>> Here is an mdp file for a run that actually completed successfully:
>>> title           =Graphene
>>> ;warnings       =10
>>> cpp             =cpp
>>> ;define         =-DPOSRES
>>> constraints     =none
>>> integrator      =md
>>> dt              =0.002 ; ps
>>> nsteps          =10000
>>> nstcomm         =100
>>> nstxout         =100
>>> ;nstvout                =1000
>>> nstfout         =0
>>> nstlog          =100
>>> nstenergy       =100
>>> nstlist         =100
>>> ns_type         =grid
>>> rlist           =2.0
>>> coulombtype     =PME
>>> rcoulomb        =2.0
>>> vdwtype         =cut-off
>>> rvdw            =5.0
>>> fourierspacing  =0.12
>>> fourier_nx      =0
>>> fourier_ny      =0
>>> fourier_nz      =0
>>> pme_order       =4
>>> ewald_rtol      =1e-5
>>> optimize_fft    =yes
>>>
>>> ; This section freezes graphene lattice
>>> energygrps      = Grph NH3
>>> energygrp_excl  = Grph Grph
>>> freezegrps      = Grph ; Freeze graphene lattice
>>> freezedim       = Y Y Y; in all directions
>>>
>>> Tcoupl          =berendsen
>>> tau_t           =0.5    0.5
>>> tc-grps         =NH3    Grph
>>> ref_t           =300    300
>>>
>>> ;coupl          = parrinello-rahman
>>> ;tau_p          = 1.5
>>> ;compressibility = 1.3
>>> ;ref_p          = 0.061
>>>
>>> gen_vel = yes
>>> gen_temp = 300.0
>>> gen_seed = 173529
>>>
>>> And here is a copy of an mdp file for a run that did not complete
>>> successfully:
>>>
>>> title           =Graphene
>>> ;warnings       =10
>>> cpp             =cpp
>>> ;define         =-DPOSRES
>>> constraints     =none
>>> integrator      =md
>>> dt              =0.002 ; ps
>>> nsteps          =30000
>>> nstcomm         =500
>>> nstxout         =500
>>> ;nstvout                =1000
>>> nstfout         =0
>>> nstlog          =500
>>> nstenergy       =500
>>> nstlist         =500
>>> ns_type         =grid
>>> rlist           =2.0
>>> coulombtype     =PME
>>> rcoulomb        =2.0
>>> vdwtype         =cut-off
>>> rvdw            =5.0
>>> fourierspacing  =0.12
>>> fourier_nx      =0
>>> fourier_ny      =0
>>> fourier_nz      =0
>>> pme_order       =4
>>> ewald_rtol      =1e-5
>>> optimize_fft    =yes
>>>
>>> ; This section freezes graphene lattice
>>> energygrps      = Grph NH3
>>> energygrp_excl  = Grph Grph
>>> freezegrps      = Grph ; Freeze graphene lattice
>>> freezedim       = Y Y Y; in all directions
>>>
>>> Tcoupl          =berendsen
>>> tau_t           =0.5    0.5
>>> tc-grps         =NH3    Grph
>>> ref_t           =300    300
>>>
>>> ;coupl          = parrinello-rahman
>>> ;tau_p          = 1.5
>>> ;compressibility = 1.3
>>> ;ref_p          = 0.061
>>>
>>> gen_vel = yes
>>> gen_temp = 300.0
>>> gen_seed = 173529
>>>
>>> Please let me know what you think might be the problem.
>>>
>>> Thanks
>>>
>>> Darrell
>>>
>>>> Date: Thu, 16 Jul 2009 09:47:49 +1000
>>>> From: Mark Abraham <Mark.Abraham at anu.edu.au>
>>>> Subject: Re: [gmx-users] Segmentation Fault (Address not mapped)
>>>> To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>>>> Message-ID: <4A5E6AA5.4040809 at anu.edu.au>
>>>> Content-Type: text/plain; charset=ISO-8859-1; format=flowed
>>>>
>>>> darrellk at ece.ubc.ca wrote:
>>>>> Hi Mark,
>>>>> Yes, I know that the box dimensions are defined in the last line of the
>>>>> .gro file and I have defined these dimensions as 38 nm x 38 nm x 38 nm
>>>>> in the .gro file.
>>>> OK.
>>>>
>>>>> I looked through my .gro file to ensure none of the atoms had coordinates
>>>>> outside the 38x38x38 box. While I was reviewing the file I did notice
>>>>> that some coordinates had negative values, slightly negative, but
>>>>> negative none the less. Could this be causing the segmentation fault
>>>>> between time step 10,000 and time step 30,000? Why wouldn't the
>>>>> negative coordinates cause a segmentation fault much earlier?
>>>> The absolute value of the coordinates is irrelevant.
>>>>
>>>> Your choice of 2.0 for rcoulomb is likely suboptimal for PME. Some
>>>> smaller value is probably more efficient, but this will not be the cause
>>>> of your problem.
>>>>
>>>> What is your system preparation regime? (i.e. EM + equilibration)
>>>>
>>>> Can you post a corrected and current .mdp file?
>>>>
>>>> Mark
>>>>
>>>>>> Date: Wed, 15 Jul 2009 16:59:21 +1000
>>>>>> From: Mark Abraham <Mark.Abraham at anu.edu.au>
>>>>>> Subject: Re: [gmx-users] Segmentation Fault (Address not mapped)
>>>>>> To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>>>>>> Message-ID: <4A5D7E49.9020700 at anu.edu.au>
>>>>>> Content-Type: text/plain; charset=ISO-8859-1; format=flowed
>>>>>>
>>>>>> darrellk at ece.ubc.ca wrote:
>>>>>>> Hi Justin,
>>>>>>> I was experiencing the problem before someone suggested using editconf so
>>>>>>> I do not think the problem is being caused by editconf. But anyway here
>>>>>>> is my editconf command. Let me know if you a source of error in this
>>>>>>> command line.
>>>>>>>
>>>>>>> editconf -f graphene.gro -n index.ndx -o graphene_ec.gro
>>>>>>>
>>>>>>> I did not want to add in additional space between the solvent and the box
>>>>>>> as I saw no reason for doing so. And hence that is why I originally did
>>>>>>> not use editconf.
>>>>>>>
>>>>>>> My box dimensions are 38nm x 38nm x 38nm.
>>>>>> The box dimensions are defined in the bottom line of the .gro file, and
>>>>>> not by the positions of the atoms in that file. If you haven't ever set
>>>>>> them to be suitable for your coordinates with editconf, then they might
>>>>>> not be.
>>>>>>
>>>>>> Mark
>>>>>>
>>>>>>  I used cutoffs of 2 nm & 5 nm
>>>>>>> for my system so ensure the cutoff occured at a distance where the
>>>>>>> potentials were stabalized (not changing). I guess I could use shorter
>>>>>>> cutoffs such as 1.5 nm & 2 nm and this may decrease my computation time.
>>>>>>> I also thought that I needed to use larger cut-offs since I am dealing
>>>>>>> in the gas phase and there is greater ditance between the atoms in my
>>>>>>> simulation than in liquid-based simulations.
>>>>>>>
>>>>>>> In the .log files, I do not see any LINCS warnings or neighborlist
>>>>>>> errors.
>>>>>>>
>>>>>>> I ran gmxcheck on a .trr file and was presented with the following
>>>>>>> output:
>>>>>>> *********************************************
>>>>>>> Checking file mdtraj.trr
>>>>>>> trn version: GMX_trn_file (single precision)
>>>>>>> Reading frame 0 time 0.000
>>>>>>> # Atoms 10482
>>>>>>> Last frame 5 time 1.000
>>>>>>>
>>>>>>>
>>>>>>> Item #frames Timestep (ps)
>>>>>>> Step 6 0.2
>>>>>>> Time 6 0.2
>>>>>>> Lambda 6 0.2
>>>>>>> Coords 6 0.2
>>>>>>> Velocities 6 0.2
>>>>>>> Forces 0
>>>>>>> Box 6 0.2
>>>>>>> *********************************************
>>>>>>>
>>>>>>> I ran two additional simulations with different values for nsteps and
>>>>>>> nstxxxx paramaters and have the following to report:
>>>>>>>
>>>>>>> When I run a simulation with the following parameters it completes
>>>>>>> successfully and I see, in the log file, the system output every 100
>>>>>>> time steps.
>>>>>>> nsteps          =10000
>>>>>>> nstcomm         =100
>>>>>>> nstxout         =100
>>>>>>> nstfout         =0
>>>>>>> nstlog          =100
>>>>>>> nstenergy       =100
>>>>>>> nstlist         =100
>>>>>>>
>>>>>>> When I run a simulation with the following parameters it fails with a
>>>>>>> sementation fault and, in the log file, I do not see system output every
>>>>>>> 500 time steps.
>>>>>>> nsteps          =30000
>>>>>>> nstcomm         =500
>>>>>>> nstxout         =500
>>>>>>> nstfout         =0
>>>>>>> nstlog          =500
>>>>>>> nstenergy       =500
>>>>>>> nstlist         =500
>>>>>>>
>>>>>>> Please let me know what you think might be the problem.
>>>>>>>
>>>>>>> Thank you very much.
>>>>>>>
>>>>>>> Darrell
>>>>>>>
>>>>>>>
>>>>>>>> Date: Mon, 13 Jul 2009 15:37:15 -0400
>>>>>>>> From: "Justin A. Lemkul" <jalemkul at vt.edu>
>>>>>>>> Subject: Re: [gmx-users] Segmentation Fault (Address not mapped)
>>>>>>>> To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>>>>>>>> Message-ID: <4A5B8CEB.4020609 at vt.edu>
>>>>>>>> Content-Type: text/plain; charset=ISO-8859-1; format=flowed
>>>>>>>>
>>>>>>>>
>>>>>>>>
>>>>>>>> darrellk at ece.ubc.ca wrote:
>>>>>>>>> Hi Mark,
>>>>>>>>> I used editconf on my .gro file with zero space between my solvent and
>>>>>>>>> the box and the resulting box had the exact same dimension as the
>>>>>>>>> initial box. I also performed a number of simulation runs with different
>>>>>>>> If you're using editconf to define zero space, what's the point?  I only ask
>>>>>>>> because it is a potential source of error if you think you're adding zero space,
>>>>>>>> but something else might be going on.  Maybe you can post your editconf command
>>>>>>>> line.
>>>>>>>>
>>>>>>>> What are your box dimensions?  Are cut-off lengths of 2.0 and 5.0 nm appropriate
>>>>>>>> for your system?  How did you determine that these cut-off's should be used?
>>>>>>>>
>>>>>>>>> mdp parameters hoping this would provide me some indication of the cause
>>>>>>>>> of the fault but to no avail. I looked through the log files, error
>>>>>>>>> files, and output files and could not find any output to help me
>>>>>>>>> identify the source of my error.
>>>>>>>>>
>>>>>>>> It is very odd that Gromacs isn't report anything at all.  No LINCS warnings?
>>>>>>>> No neighborlist errors?  These would be in the .log file.
>>>>>>>>
>>>>>>>>> Could you please let me know how I can look at my structure at each point
>>>>>>>>> as you indicate below as I do not see any files output that provide me
>>>>>>>>> to do so? I tried to look at the .trr file but when I try to load it
>>>>>>>>> into VMD, it causes an error. I am assuming this error is caused because
>>>>>>>>> the .trr file did not complete correctly due to the segmentation fault.
>>>>>>>>> Please advise.
>>>>>>>>>
>>>>>>>> How early is the segmentation fault occurring?  I have found it useful sometimes
>>>>>>>> to set nstxout (or nstxtcout) = 1 to try to catch the first few frames if the
>>>>>>>> explosion is occurring early.  In any case, gmxcheck will help determine how
>>>>>>>> many frames are present, as well as the integrity of the file (broken frames, etc).
>>>>>>>>
>>>>>>>> -Justin
>>>>>>>>
>>>>>>>>> Thanks.
>>>>>>>>>
>>>>>>>>> Darrell
>>>>>>>>>
>>>>>>>>>> Date: Tue, 07 Jul 2009 09:19:42 +1000
>>>>>>>>>> From: Mark Abraham <Mark.Abraham at anu.edu.au>
>>>>>>>>>> Subject: Re: [gmx-users] Segmentation Fault (Address not mapped)
>>>>>>>>>> To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>>>>>>>>>> Message-ID: <4A52868E.6010807 at anu.edu.au>
>>>>>>>>>> Content-Type: text/plain; charset=ISO-8859-1; format=flowed
>>>>>>>>>>
>>>>>>>>>> darrellk at ece.ubc.ca wrote:
>>>>>>>>>>> Hi Mark,
>>>>>>>>>>> I added the energy group exclusions as indicated in your previous
>>>>>>>>>>> response but am still experiencing the same problem. I looked at the
>>>>>>>>>>> .log files and see that in one log file it tells me that my box is
>>>>>>>>>>> exploding. However, I do not have many molecules in my simulation and
>>>>>>>>>>> therefore do not think that it is possible that my box is exploding from
>>>>>>>>>>> pressure.
>>>>>>>>>> Sure, but if there's something malformed with your model physics or
>>>>>>>>>> starting configuration, then large forces can make anything explode.
>>>>>>>>>>
>>>>>>>>>> Look at your structures at each point and see where things start to go
>>>>>>>>>> wrong. Make sure you've used editconf on your starting structure to
>>>>>>>>>> provide the right box dimensions.
>>>>>>>>>>
>>>>>>>>>> Mark
>>>>>>>>>>
>>>>>>>>>>> Maybe if I re-state my simulation it will help you in providing me
>>>>>>>>>>> direction on what might be causing the problem. My simulation consists
>>>>>>>>>>> of a graphene lattice with a layer of ammonia molecules above it. The
>>>>>>>>>>> box is very large and there is lots of empty space in the box. So I am a
>>>>>>>>>>> little confused as to how the box could be exploding.
>>>>>>>>>>>
>>>>>>>>>>> Thanks again in advance for your help.
>>>>>>>>>>>
>>>>>>>>>>> Darrell Koskinen
>>>>>>>>>>>
>>>>>>>>>>>> Date: Fri, 03 Jul 2009 11:41:45 +1000
>>>>>>>>>>>> From: Mark Abraham <Mark.Abraham at anu.edu.au>
>>>>>>>>>>>> Subject: Re: [gmx-users] Segmentation Fault (Address not mapped)
>>>>>>>>>>>> To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>>>>>>>>>>>> Message-ID: <4A4D61D9.6080700 at anu.edu.au>
>>>>>>>>>>>> Content-Type: text/plain; charset=ISO-8859-1; format=flowed
>>>>>>>>>>>>
>>>>>>>>>>>> darrellk at ece.ubc.ca wrote:
>>>>>>>>>>>>> Dear GROMACS Gurus,
>>>>>>>>>>>>> I am experiencing a segmentation fault when mdrun executes. My simulation
>>>>>>>>>>>>> has a graphene lattice with an array (layer) of ammonia molecules above
>>>>>>>>>>>>> it. The box is three times the width of the graphene lattice, three
>>>>>>>>>>>>> times the length of the graphene lattice, and three times the height
>>>>>>>>>>>>> between the graphene lattice and the ammonia molecules. I am including
>>>>>>>>>>>>> the mdp file and the error message.
>>>>>>>>>>>> Probably your system is exploding when integration fails with excessive
>>>>>>>>>>>> forces. You should look at the bottom of stdout, stderr, *and* the .log
>>>>>>>>>>>> file to diagnose. The error message you give below is merely the
>>>>>>>>>>>> diagnostic trace from the MPI library, and it not useful for finding out
>>>>>>>>>>>> what GROMACS thinks the problem might be. Further advice below.
>>>>>>>>>>>>
>>>>>>>>>>>>> ***************************************************************************
>>>>>>>>>>>>> .mdp file
>>>>>>>>>>>>> title           =FWS
>>>>>>>>>>>>> ;warnings       =10
>>>>>>>>>>>>> cpp             =cpp
>>>>>>>>>>>>> ;define         =-DPOSRES
>>>>>>>>>>>>> ;constraints    =all-bonds
>>>>>>>>>>>>> integrator      =md
>>>>>>>>>>>>> dt              =0.002 ; ps
>>>>>>>>>>>>> nsteps          =100000
>>>>>>>>>>>>> nstcomm         =1000
>>>>>>>>>>>>> nstxout         =1000
>>>>>>>>>>>>> ;nstvout                =1000
>>>>>>>>>>>>> nstfout         =0
>>>>>>>>>>>>> nstlog          =1000
>>>>>>>>>>>>> nstenergy       =1000
>>>>>>>>>>>>> nstlist         =1000
>>>>>>>>>>>>> ns_type         =grid
>>>>>>>>>>>>> rlist           =2.0
>>>>>>>>>>>>> coulombtype     =PME
>>>>>>>>>>>>> rcoulomb        =2.0
>>>>>>>>>>>>> vdwtype         =cut-off
>>>>>>>>>>>>> rvdw            =5.0
>>>>>>>>>>>>> fourierspacing  =0.12
>>>>>>>>>>>>> fourier_nx      =0
>>>>>>>>>>>>> fourier_ny      =0
>>>>>>>>>>>>> fourier_nz      =0
>>>>>>>>>>>>> pme_order       =4
>>>>>>>>>>>>> ewald_rtol      =1e-5
>>>>>>>>>>>>> optimize_fft    =yes
>>>>>>>>>>>>>
>>>>>>>>>>>>> ; This section added in to freeze hydrogen atoms at edge of graphene
>>>>>>>>>>>>> lattice to prevent movement of lattice
>>>>>>>>>>>>> ;energygrp_excl = Edge Edge Edge Grph Grph Grph
>>>>>>>>>>>>> freezegrps      = Edge Grph ; Hydrogen atoms in graphene lattice are
>>>>>>>>>>>>> associated with the residue Edge
>>>>>>>>>>>> See comments in 7.3.24 of manual. You need the energy group exclusions.
>>>>>>>>>>>>
>>>>>>>>>>>> Mark
>>>>>>>>>>>>
>>>>>>>>>>>>> freezedim       = Y Y Y Y Y Y; Freeze hydrogen atoms in all directions
>>>>>>>>>>>>>
>>>>>>>>>>>>> ;Tcoupl         =berendsen
>>>>>>>>>>>>> ;tau_t          =0.1    0.1
>>>>>>>>>>>>> ;tc-grps                =protein non-protein
>>>>>>>>>>>>> ;ref_t = 300 300
>>>>>>>>>>>>>
>>>>>>>>>>>>> ;Pcoupl = parrinello-rahman
>>>>>>>>>>>>> ;tau_p = 0.5
>>>>>>>>>>>>> ;compressibility = 4.5e-5
>>>>>>>>>>>>> ;ref_p = 1.0
>>>>>>>>>>>>>
>>>>>>>>>>>>> ;gen_vel = yes
>>>>>>>>>>>>> ;gen_temp = 300.0
>>>>>>>>>>>>> ;gen_seed = 173529
>>>>>>>>>>>>> ***************************************************************************
>>>>>>>>>>>>>
>>>>>>>>>>>>> ***************************************************************************
>>>>>>>>>>>>> ERROR IN OUTPUT FILE
>>>>>>>>>>>>> [node16:25758] *** Process received signal ***
>>>>>>>>>>>>> [node16:25758] Signal: Segmentation fault (11)
>>>>>>>>>>>>> [node16:25758] Signal code: Address not mapped (1)
>>>>>>>>>>>>> [node16:25758] Failing at address: 0xfffffffe1233e230
>>>>>>>>>>>>> [node16:25758] [ 0] /lib64/libpthread.so.0 [0x3834a0de80]
>>>>>>>>>>>>> [node16:25758] [ 1] /usr/lib64/libmd_mpi.so.4(pme_calc_pidx+0xd6)
>>>>>>>>>>>>> [0x2ba295dd0606]
>>>>>>>>>>>>> [node16:25758] [ 2] /usr/lib64/libmd_mpi.so.4(do_pme+0x808)
>>>>>>>>>>>>> [0x2ba295dd4058]
>>>>>>>>>>>>> [node16:25758] [ 3] /usr/lib64/libmd_mpi.so.4(force+0x8de)
>>>>>>>>>>>>> [0x2ba295dba5be]
>>>>>>>>>>>>> [node16:25758] [ 4] /usr/lib64/libmd_mpi.so.4(do_force+0x5ef)
>>>>>>>>>>>>> [0x2ba295ddeaff]
>>>>>>>>>>>>> [node16:25758] [ 5] mdrun_mpi(do_md+0xe23) [0x411193]
>>>>>>>>>>>>> [node16:25758] [ 6] mdrun_mpi(mdrunner+0xd40) [0x4142f0]
>>>>>>>>>>>>> [node16:25758] [ 7] mdrun_mpi(main+0x239) [0x4146f9]
>>>>>>>>>>>>> [node16:25758] [ 8] /lib64/libc.so.6(__libc_start_main+0xf4)
>>>>>>>>>>>>> [0x3833e1d8b4]
>>>>>>>>>>>>> [node16:25758] [ 9] mdrun_mpi [0x40429a]
>>>>>>>>>>>>> [node16:25758] *** End of error message ***
>>>>>>>>>>>>> mpirun noticed that job rank 7 with PID 25758 on node node16 exited on
>>>>>>>>>>>>> signal 11 (Segmentation fault).
>>>>>>>>>>>>> 7 processes killed (possibly by Open MPI)
>>>>>>>>>>>>> ***************************************************************************
>>>>>>>>>>>>>
>>>>>>>>>>>>> Could you please let me know what you think may be causing the fault?
>>>>>>>>>>>>>
>>>>>>>>>>>>> Much thanks in advance.
>>>>>>>>>>>>>
>>>>>>>>>>>>> Darrell Koskinen
>>>>>>>>> _______________________________________________
>>>>>>>>> gmx-users mailing list    gmx-users at gromacs.org
>>>>>>>>> http://lists.gromacs.org/mailman/listinfo/gmx-users
>>>>>>>>> Please search the archive at http://www.gromacs.org/search before posting!
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>>>>>>>>> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
>>>>>>>>>
>>>>>>>> --
>>>>>>>> ========================================
>>>>>>>>
>>>>>>>> Justin A. Lemkul
>>>>>>>> Ph.D. Candidate
>>>>>>>> ICTAS Doctoral Scholar
>>>>>>>> Department of Biochemistry
>>>>>>>> Virginia Tech
>>>>>>>> Blacksburg, VA
>>>>>>>> jalemkul[at]vt.edu | (540) 231-9080
>>>>>>>> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>>>>>>>>
>>>>>>>> ========================================
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>>>>>>>
>>>>>> ------------------------------
>>>>>>
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>>>>>> End of gmx-users Digest, Vol 63, Issue 61
>>>>>> *****************************************
>>>>>>
>>>>> _______________________________________________
>>>>> gmx-users mailing list    gmx-users at gromacs.org
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>> --
>> ========================================
>>
>> Justin A. Lemkul
>> Ph.D. Candidate
>> ICTAS Doctoral Scholar
>> Department of Biochemistry
>> Virginia Tech
>> Blacksburg, VA
>> jalemkul[at]vt.edu | (540) 231-9080
>> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>>
>> ========================================
>>
>>
>> ------------------------------
>>
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>> *****************************************
>>
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-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

========================================



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