[gmx-users] Maximum table size for tabulated non-bonded potential
julie.bernauer.l at gmail.com
Thu Jul 29 01:26:05 CEST 2010
I have large potential tables that I want to work with in Gromacs 4.0.7
but they get cut at reading apparently (even the atom name get cut). The
smaller ones read well.
I used to have the same table (with a different sign for the force of
course) in Gromacs 3.99 CVS (compiled on 2008-05-20). I remember I had
to increase a "#define " constant (max size I guess) at some point for
gromacs not to segfault (grompp stage) but I can't remember which one(s)...
Gromacs 4.0.7 does not segfault so it is harder for me to figure out
which is the #define constant I need to modify.
Could anybody help me please?
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