Maybe there is some odd character that got written due to cosmic ray or
other glitch at that point. It is interesting that it is at the boundary
of the coordinates and velocities, if you are correct.
I would write a short search string for grep or some script or whatever
you can use, to check the file for non-ascii characters. If such is
found, repair may not be too hard.
Bill
On 5/12/16 12:46 AM, ATUL KUMAR wrote:
> Thanks you for reply
>
> from line number 53937 velocity information is starting so after this line
> velocities are given,as you can see below:
>
> -0.2190498 -0.3801701 -0.2146155 0.2120442 -0.0483578 -0.1870282
> -0.0518108 0.4547625 0.0246057 0.1660849 -1.3521969 -0.2933770
> 1.1362131 1.0383733 0.6346091 -0.1500466 -0.1422970 0.1068975
> -0.5158289 0.3207921 0.6356652 0.2735198 0.0152757 -0.2214816
> 0.0644396 0.4220759 0.1272052 1.0090692 0.2050436 -0.3527283
> -0.0892179 -0.0232751 0.0271809 -0.2112817 0.1529961 0.1076936
> -0.3404993 0.1573051 0.0153049 0.2042347 -0.0300365 -0.2109043
> 0.0172754 0.3922425 0.2648201 0.0443412 -0.1933381 0.2780198
> 0.0185377 0.2698978 0.0821782 -0.1545826 0.2324211 -0.0440647
> -0.2908231 -0.5178324 0.8093304 0.4728331 -0.0099767 -0.0076486
> -0.3234072 -0.3021271 0.1581420 0.0419765 0.3059679 -0.2447408
> -0.1985732 -0.7545071 0.1132305 0.0101157 0.0079879 0.0515896
>
> *Atul Kuamr jaiswal*
> Research Scholar
> School of Computational and Integrative Sciences
> Centre for Computational Biology and Bioinformatics (CCBB)
> JNU,New Delhi
> India.
>
> On Thu, May 12, 2016 at 1:05 PM, ATUL KUMAR <atul44_sit.jnu.ac.in> wrote:
>
>> Thanks you for reply
>>
>> from line number 53937 velocity information is starting so after this line
>> velocities are given as you can see in the attached file here and for
>> simplicity i am writing few lines stating from line number 53937 as
>>
>> -0.2190498 -0.3801701 -0.2146155 0.2120442 -0.0483578 -0.1870282
>> -0.0518108 0.4547625 0.0246057 0.1660849 -1.3521969 -0.2933770
>> 1.1362131 1.0383733 0.6346091 -0.1500466 -0.1422970 0.1068975
>> -0.5158289 0.3207921 0.6356652 0.2735198 0.0152757 -0.2214816
>> 0.0644396 0.4220759 0.1272052 1.0090692 0.2050436 -0.3527283
>> -0.0892179 -0.0232751 0.0271809 -0.2112817 0.1529961 0.1076936
>> -0.3404993 0.1573051 0.0153049 0.2042347 -0.0300365 -0.2109043
>> 0.0172754 0.3922425 0.2648201 0.0443412 -0.1933381 0.2780198
>> 0.0185377 0.2698978 0.0821782 -0.1545826 0.2324211 -0.0440647
>> -0.2908231 -0.5178324 0.8093304 0.4728331 -0.0099767 -0.0076486
>> -0.3234072 -0.3021271 0.1581420 0.0419765 0.3059679 -0.2447408
>> -0.1985732 -0.7545071 0.1132305 0.0101157 0.0079879 0.0515896
>>
>>
>> *Atul Kuamr jaiswal*
>> Research Scholar
>> School of Computational and Integrative Sciences
>> Centre for Computational Biology and Bioinformatics (CCBB)
>> JNU,New Delhi
>> India.
>>
>> On Thu, May 12, 2016 at 12:53 PM, Bill Ross <ross.cgl.ucsf.edu> wrote:
>>
>>> What is right after that line?
>>>
>>> Bill
>>>
>>>
>>> On 5/12/16 12:19 AM, ATUL KUMAR wrote:
>>>> Dear amber User, I have run a production run of 100 nanosecond after
>>>> equilibration. And when I am trying to restart the simulation from .rst
>>>> file after 100 nanosecond production run following error is coming in
>>> .out
>>>> file
>>>>
>>>> ERROR: I could not understand line 53937
>>>> -0.2190498 -0.3801701 -0.2146155 0.2120442 -0.0483578
>>> -0.1870282
>>>> in .rst file, from 53937 line velocity information is given.
>>>>
>>>> the .in file is as follows:
>>>>
>>>> Constant pressure constant temperature production run
>>>> &cntrl
>>>> nstlim=500000, dt=0.002, ntx=5, irest=1, ntpr=50, ntwr=50, ntwx=50,
>>>> ntwv=50,
>>>>
>>>> temp0=300.0, ntt=3, gamma_ln=1.0, ioutfm=1,
>>>>
>>>> ntb=2, ntp=1,
>>>>
>>>> ntc=2, ntf=2,
>>>> &end
>>>>
>>>> please help me out in resolving this problem
>>>> thank you
>>>> *Atul Kuamr jaiswal*
>>>> Research Scholar
>>>> School of Computational and Integrative Sciences
>>>> Centre for Computational Biology and Bioinformatics (CCBB)
>>>> JNU,New Delhi
>>>> India.
>>>> _______________________________________________
>>>> AMBER mailing list
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>>>> http://lists.ambermd.org/mailman/listinfo/amber
>>>
>>> _______________________________________________
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>>>
>>
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Received on Thu May 12 2016 - 01:30:03 PDT
