[gmx-users] PRODRG atom number limit

hugo verli hugo at acd.ufrj.br
Tue Mar 23 15:10:01 CET 2004


in previous correspondences with this list I indicated my interest in generate
topologies, using PRODRG server, of big molecules (>100 atoms or even >300).
So it was indicated to me the local version of PRODRG. However, its appear to
be a limit of about 300 atoms in the local version, is it correct? But I
observed not only a atom number limit, but something like a complexity limit,
because I submit a molecule with about 200 atoms and the following error is

ERRDRG> Error in recursion (molecule too complex)

Is there any way to generate these topologies? The size of the molecules is of
ultimate relevance in the system I am intented to simulate.

Many thanks in advance,

Hugo Verli.

More information about the gromacs.org_gmx-users mailing list