I am using amber8, but this was a mistake on my part.
This problem is because of an error with re-compilation of amber. I found this
patch on the amber website bugfix.
Thanks a lot for your reply.
Best Regards,
Moitrayee
> Could you be more specific?
>
> Which amber distribution?
> What is your input?
> Where did you find your patch?
>
> All the best,
> Ray
>
> On Fri, Oct 24, 2008 at 12:14 AM, <moitrayee.mbu.iisc.ernet.in> wrote:
>> Dear all,
>>
>> I was running mm-pbsa calculations on a protein-ligand complex and the job
>> terminated in a particular snapshot giving the error: PB Bomb in epsbnd(): No
>> neighbor found for exposed boundary grid 76 110 25
>>
>> I searched the archive to fix the error using bugfix4 in Amber8. But after
>> applying the patch when i am trying to re-compile it it gives lots of error as
>> following and the recompilation is aborted.
>>
>> In file pb_force.f:149
>>
>> module poisson_boltzmann
>> 1
>> Error: Non-numeric character in statement label at (1)
>> In file pb_force.f:149
>>
>> module poisson_boltzmann
>> 1
>> Error: Unclassifiable statement at (1)
>> In file pb_force.f:153
>>
>> real (kind=8), parameter :: pbkb = 1.3807D-23 / 1.6606D-27 / (1.00D+
>> 1
>> Error: Non-numeric character in statement label at (1)
>> In file pb_force.f:153
>>
>> real (kind=8), parameter :: pbkb = 1.3807D-23 / 1.6606D-27 / (1.00D+
>> 1
>> Error: Unexpected array reference at (1)
>> In file pb_force.f:154
>>
>> real (kind=8), parameter :: fioni = 6.0220D+23 / 1.00D+30
>> 1
>> Error: Non-numeric character in statement label at (1)
>> In file pb_force.f:154
>>
>> real (kind=8), parameter :: fioni = 6.0220D+23 / 1.00D+30
>> 1
>> Error: Unexpected array reference at (1)
>> In file pb_force.f:155
>>
>> real (kind=8), parameter :: fiono = 1.0D0 / fioni
>> 1
>> Error: Non-numeric character in statement label at (1)
>> In file pb_force.f:155
>>
>> real (kind=8), parameter :: fiono = 1.0D0 / fioni
>> 1
>> Error: Unexpected array reference at (1)
>> In file pb_force.f:156
>>
>> real (kind=8), parameter :: eps0 = 8.8542D-12 / (1.6022D-19)**2 / (1
>> 1
>> Error: Non-numeric character in statement label at (1)
>> In file pb_force.f:156
>>
>> real (kind=8), parameter :: eps0 = 8.8542D-12 / (1.6022D-19)**2 / (1
>> 1
>> Error: Unexpected array reference at (1)
>> Fatal Error: Too many errors, aborting.
>> So what should i do. Please help urgently.
>> Thanks a lot in advance.
>>
>> Sincere Regards
>> Moitrayee Bhattacharyya
>> Molecular Biophysics Unit
>> Indian Institute of Science
>> India.
>>
>>
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Received on Sun Oct 26 2008 - 05:09:52 PDT
