Using the fprintf line just before the mm_options call, I get back:
"solvopt=8, accept=0.001000, maxitn=1000, fillratio=4.000000, space=0.50000"
... although now i'm getting the
"mm_option: unknown keyword or invalid value: solvopt"
Error once again.
-Wes
> Try printing out the string containing solvopt in mmpbsa_energy.nab, so
> something like this:
>
> fprintf(stderr, "solvopt=%d, accept=%lf, maxitn=%d, fillratio=%lf,
> space=%lf",
> pbopt.solvopt, pbopt.accept, pbopt.maxitn, pbopt.fillratio,
> pbopt.space))
>
> prior to sending the string to the mm_options call, just to make sure that
> the string is what it appears to be.
>
>
> On Fri, Feb 22, 2013 at 2:27 PM, <wmsmith.uci.edu> wrote:
>
>> When using
>>
>> solvopt{Assign}[1-68]
>>
>> The error message is now reading
>> "Error: mm_option: unknown keyword or invalid value: 0,"
>> instead of
>> "Error: mm_option: unknown keyword or invalid value: solvopt"
>> as it did before.
>>
>> This seems rather strange to me... anyone know why it seems to be
>> showing
>> "0" as a keyword?
>>
>> I haven't made any other modifications as of my last post, other than
>> changing the one line in mm_options.l to read as shown above.
>>
>> -Wes
>>
>> > On Thu, Feb 21, 2013, wmsmith.uci.edu wrote:
>> >> Here were the relevant source file changes (as of last try):
>> >> -mm_options.l, Line 160
>> >> solvopt{Assign}[1-6]|8 { ECHO; solvopt =
>> setVarInt(yytext);
>> >> }
>> >
>> > Try this:
>> >
>> > solvopt{Assign}[1-68]
>> >
>> > [If you really want to use the "|", you have to use parentheses to
>> > establish
>> > precendence: solvopt{Assign}([1-6]|8).]
>> >
>> > ...dac
>> >
>> > _______________________________________________
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>> > AMBER-Developers.ambermd.org
>> > http://lists.ambermd.org/mailman/listinfo/amber-developers
>> >
>> >
>>
>>
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>>
>
>
>
> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Candidate
> 352-392-4032
> _______________________________________________
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> AMBER-Developers.ambermd.org
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>
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Received on Fri Feb 22 2013 - 13:30:02 PST
