Hi all,
It's been a while but I've got round to following the advice below and
the actual error I'm getting in the output file from Run.dip is
ERROR: r1 -> r4 (and r1a -> r4a) must be monotonically increasing;
Offending restraint:
******
H3' ( 27)-H2'1( 29) NSTEP1= 0
NSTEP2= 0
R1 = 6.500 R2 = 6.500 R3 = 3.400 R4 = 3.400 RK2 = 0.000 RK3
= 32.000
I've looked through the file RST.allang which the restraints are
apparently read from but I can't find the string quoted above in it
anywhere.
Any ideas?
Thanks
Anna
Jason Swails wrote:
> Hello,
>
> On Fri, Mar 5, 2010 at 9:30 AM, Anna Dejardin <anna.dejardin.ucl.ac.uk> wrote:
>
>> Hi All,
>>
>> I'm installing AMBER10 on my Red Hat Enterprise Linux Client release 5.4
>> (Tikanga) machine. When I run "make test" I get this error:
>>
>> cd rdc && ./Run.dip
>> ./Run.dip: Program error
>> make: *** [test.sander.BASIC] Error 1
>>
>
> First suggestion if you haven't done this already: download all of the
> bug fixes and recompile (you must make clean before you recompile).
>
> Unfortunately, I find these error messages to be wildly unhelpful,
> since I don't think any of the output printed to stderr is actually
> retained... What I usually do when this occurs is to go into that
> directory and edit the Run.dip script. I usually comment out the
> redirect to the error function and run the script by hand. This will
> then create the output files, and you'll be able to look at the error
> printed out. It could be any number of errors, and the error message
> above just says "something went wrong." Printing back the actual
> error that occurred will help us diagnose it better (unless someone
> else here happens to know exactly why Run.dip would fail).
>
> Good luck!
> Jason
>
>
>> I've tried with both pgf90 and gfortran compilers. Any ideas what is going
>> wrong?
>>
>> Thanks!
>>
>> Anna
>>
>> _______________________________________________
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>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>>
>
>
>
>
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Received on Wed Mar 31 2010 - 08:30:06 PDT
