[gmx-users] Merge + CHARMM?

[Alessandro.Maiorana at roma2.infn.it]

Hi,

I am trying to use the CHARMM27 force field to Gromacs to simulate two
proteins unite with command -merge, but the following error message is
coming:
"Opening library file
/storage2/rgr/software/gromacs/share/gromacs/top/aminoacids.dat

WARNING: atom C is missing in residue LYSH 16 in the pdb file


WARNING: atom C is missing in residue LYSH 32 in the pdb file


-------------------------------------------------------
Program pdb2gmx_d, VERSION 3.3.3
Source code file: pdb2top.c, line: 697

Fatal error:
There were 2 missing atoms in molecule Protein_A, if you want to use this
incomplete topology anyhow, use the option -missing
-------------------------------------------------------"

Can you help me? See you soon.