amber-developers: yet another pimd/LES

From: Michael Crowley <crowley.scripps.edu>
Date: Tue, 20 Dec 2005 00:51:35 -0700

PIMD folks, please take a look at the lines in short_ene.f that look like:
            if( ipimd ) nrg_ele(cnum(j)) = nrg_ele(cnum(j)) + comm1*b0

The argument in the parentheses needs to be logical. I cannot fix it since
I do not know what the intent of the statement is.
SHould it be (ipimd /= 0) or (ipimd == 1) ?

If you can, please compile with g95, it finds a lot of syntax errors that
other compilers miss.
Thanks,
Mike

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Physical mail: Dr. Michael F. Crowley
                 Department of Molecular Biology, TPC6
                 The Scripps Research Institute
                 10550 North Torrey Pines Road
                 La Jolla, California 92037

Electronic mail: crowley.scripps.edu
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Received on Wed Apr 05 2006 - 23:49:45 PDT
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