[gmx-users] Maximum table size for tabulated non-bonded potential

Julie Bernauer julie.bernauer.l at gmail.com
Thu Jul 29 01:26:05 CEST 2010

Hi all,

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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