[Xplor-nih] nested while loops in XPLOR-NIH

[Keith L Constantine]

Dear Charles:

Thank you very much for your response. (John Kuszewski also responded.) 
I've now encountered the same problem with a single (non-nested) "while" 
loop. The legacy script (attached),  and a command file that calls the 
script (attached), work fine using XPLOR 98.1 under UNIX (two minimized 
structures are produced), but with XPLOR-NIH under Linux, the first 
structure is produced, and then the while loop error occurs:

%X-PLOR-ERR: unrecognized command:
while
^^^^

Also, is ABNR minimization supported by XPLOR-NIH? (The line "mini abnr 
nstep=2000 end" was not recognized). Are there alternatives to Powell? I 
often encounter situations where ABNR works but Powell fails.

Thanks again for all of your help!

   Keith

Charles at Schwieters.org wrote:

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>Hello Keith--
>
>  
>
>>I am (finally) moving from X-PLOR to XPLOR-NIH, and I've ecountered a
>>problem with legacy scripts containing nested while loops. The nesting
>>worked in XPLOR 98.1 under UNIX, but gives errors when the exact same
>>script is run in XPLOR-NIH 2.15.0 under Linux.
>>
>>    
>>
>
>It would be quite helpful if you could send a very short example script
>which exhibits the problem.
>
>Nested while loops are used extensively in legacy XPLOR scripts, and
>they should work fine. Do note that Xplor-NIH maintains compatibilty
>with X-PLOR 3.851 and it's conceivable that there are slight differences
>with XPLOR 98.1, but should be easily worked around.
>
>best regards--
>Charles
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