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Original Post (Thread Starter)
#10307 04/19/2006 5:25 PM
by JohnPenniston
I am trying to run the test file ~/c32b1/c32test/mcmatest.inp . When I try this, it runs but it tests whether ?MCMA .ne. 1. It determines that ?MCMA is not equal to 1 and doesn't run the test. I tried commenting out the test of ?MCMA. When I did that, I got further, but then Charmm did not recognize the MCMA INIT command.

I have run some of the other tests without any problems. Can anyone advise me on how to get MCMA to work?
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#38472 Jul 5th a 07:56 PM
by rmv
The installation procedure has changed since the posts above were written, and the correct method is shown as the output from './configure --help'.

In brief, the MCMA keyword must be added via the configure step, using the -a (or --add) option prior to compiling, with the syntax:
-a <keyword1,keyword2,...,keywordN>, --add <keyword1,keyword2,...,keywordN> 
         add the keywords to the final pref.dat
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