[gmx-users] maximum number of molecules

[Berk Hess]

>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
>g96).
>Gromacs does not use the atom numbers and residue numbers
>are only used to distinguish between different residues.

Sorry, pdb has no problems, only g96.
I fixed the g96 writing for the next release.

Berk

_________________________________________________________________
Join the world’s largest e-mail service with MSN Hotmail. 
http://www.hotmail.com