[gmx-users] conversion to .gro

[herbst at fhi-berlin.mpg.de]

Hi all,

I tried to convert a .pdb file of my molecule to a .gro file with:
pdb2gmx  -f  81.pdb  -o  81.gro,
but it dit not work:

Fatal error: Residue '2' not found in residue topology database

Any ideas?

Thanks,
Anna