CHARMM Development Project Forums Thread Like Summary - MCMA

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?

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: