i found a piece of code in src/sander_classic/forcemp.f which cannot go
through the compiling. it's around line 447 of that file which is like
C For ligand grid calculations, need to determine additional pairs
C for interactions to ligand atoms
C
IF (LGRON) THEN
^^^^^
IF (FSTCLL .OR. (LGCLLS.GT.LGSKP-1 .OR. LGSKP.LE.0)) THEN
C TINE LGNBAD(IAR1 ,IPAIRS ,JPW ,NPHIH ,
...
i got the compiling error which is like
The conditional expression must be type logical.
i'm wondering if there is something missing in this conditional expression,
if so, what should be... thanks for any help... frank
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Received on Tue Feb 08 2000 - 23:02:07 PST
