[gmx-users] maximum number of molecules

Berk Hess gmx3 at hotmail.com
Thu Apr 18 16:27:06 CEST 2002

I think gro does not have a maximum number of molecules,
since all numbers are printed modulo 100000 (modulo 10000
for residue numbers in pdb).
But g96 and pdb do have problems, there the prints should
also be modulo 100000 (modulo 10000000 for atom numbers in
Gromacs does not use the atom numbers and residue numbers
are only used to distinguish between different residues.


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