On Mon, May 30, 2011, Vivek Shankar Bharadwaj wrote:
>
> escf = escf + pm6_correction()
> 1
> Error: Function 'pm6_correction' at (1) has no IMPLICIT type
OK: my bad. The sqm routines that ship with AmberTools1.5 are actually those
that were present in Amber11, not our most recent ones.
You can try the attached patch (fingers crossed; use the files before you
applied the previous patch I posted). But I'm hoping Andy or someone familier
with sqm will vet this to see if it both makes sense, and is consistent with
current code.
Thanks for the report....dac
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Received on Mon May 30 2011 - 19:00:03 PDT
