I had looked at the .dif files and only some values were differnet. I
actually wanted to point out the last error:
>>cd tgtmd/minimize; ./Run.tgtmin
>>SANDER: Targeted minimization
>> ./Run.tgtmin: Program error
>>make: *** [test.sander.BASIC] Error 1
I checked the 'tgtmin.out' file and following was written at the end of
the file:
5. REFERENCE ATOM COORDINATES
| INFO: Old style inpcrd file read
Error in group input::atommask.f::residue_numlist
error reading residue number
I have no idea why it gave problem why test run. Should I fix something
before running it ?
Thanks,
-Priti
> did you look at the output .dif files as it is
> telling you? what are the differences?
>
> Priti Hansia wrote:
>
>>Dear users,
>>
>>I have successfully installed Amber9 (serial) on my pc. After that I was
>>testing the basic AMBER distribution as instructed. It was doing fine
>>until it gave the following problem:
>>
>>cd tgtmd/change_target; ./Run.tgtmd
>>SANDER: Targeted MD with changing target
>>diffing tgtmd.out.save with tgtmd.out
>>possible FAILURE: check tgtmd.out.dif
>>==============================================================
>>cd tgtmd/change_target.rms; ./Run.tgtmd
>>SANDER: Targeted MD with changing target and fit/rmsd
>> to different regions
>>diffing tgtmd.out.save with tgtmd.out
>>possible FAILURE: check tgtmd.out.dif
>>==============================================================
>>cd tgtmd/change_target.ntr; ./Run.tgtmd
>>SANDER: Targeted MD with changing target and restraints
>>diffing tgtmd.out.save with tgtmd.out
>>PASSED
>>==============================================================
>>cd tgtmd/conserve_ene; ./Run.tgtmd
>>SANDER: Targeted MD energy conservation test
>>diffing tgtmd.out.save with tgtmd.out
>>possible FAILURE: check tgtmd.out.dif
>>==============================================================
>>cd tgtmd/minimize; ./Run.tgtmin
>>SANDER: Targeted minimization
>> ./Run.tgtmin: Program error
>>make: *** [test.sander.BASIC] Error 1
>>
>>and it didnt complete the test run. Can anybody please tell me why it has
>>happened ?
>>
>>Thanks in advance.
>>
>>-Priti
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Received on Thu May 04 2006 - 17:10:37 PDT
