On Wed, Sep 13, 2006, William Wei wrote:
>
> I was using mmpbsa calculate the entropy for my system. It is more than
> 6000 atom system. First time I got MAXATOM is too small, so I changed the
> MAXATOM=8600 in the file size2.h. Then I got a message that "MAXM is too
> small in subroutine mweight". I looked into file sizes.h and sizes2.h
> under nmode directory, there are no MAXM defined in the file. Could
> someone point me out where is MAXM defined?
>
(Please give the version number of Amber that you are using when reporting
problems.) I gather that you must be using Amber 7, since that is the last
version that would have an error message like the one above. The
proper place to look is in mweight.f, as suggested by the message
"MAXM is too small in subroutine mweight". MAXM should be at least 3 times
the number of atoms.
...dac
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Received on Sun Sep 17 2006 - 06:07:08 PDT
