[ghemical-users] Change the max atom number of MOPAC

Vazquez Mayagoitia Alvaro vama at xanum.uam.mx
Thu Jun 22 19:09:45 EDT 2006


I'm tring to optimize a system with more than 120 atoms using MOPAC into
Ghemical, at the moment without results.

I want to change the number of maxium atoms in MOPAC. I found from the file
mopac7-1.11.tar.gz into the ./fortran subdir seems the SIZES solve it. But
each time that I compile, the "make " process takes as source ./src . Do you
know the tag to regenerate the ./src from ./fotran?

I'm using:
./configure --prefix=/usr
make install

Thanks in advance.

Álvaro Vázquez Mayagoitia
Química UAM-I

configuration Red Hat Enterprise Linux 4:

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