[gmx-users] cgenff_charmm2gmx conversion error

[Nikhil Maroli]

Dear all,
im trying to make itp file using cgenff_charmm2gmx.py i have given these
comment

 python cgenff_charmm2gmx.py LIG ligand.mol2 ligand.str charmm36-jun2015.ff


i got following error












*NOTE2: Please be sure to use the same version of CGenFF in your
simulations that was used during parameter generation:--Version of CGenFF
detected in  ligand.str : 3.0.1--Version of CGenFF detected in
charmm36-jun2015.ff/forcefield.doc : 3.0.1NOTE3: In order to avoid
duplicated parameters, do NOT select the 'Include parameters that are
already in CGenFF' option when uploading a molecule into CGenFF.error in
atomgroup.py: read_mol2_coor_only: natoms in mol2 .ne. top33 0*
i have checked the number of atoms in both mol2 and str file both are
same,33 number

any advice
Thanks

mol2 file

https://drive.google.com/file/d/0BxaQk_pcR9viUmxfWXg2SmVJNFk/view?usp=sharing

str file

https://drive.google.com/file/d/0BxaQk_pcR9viTUhCc0w2YkMtbFk/view?usp=sharing




-- 
Ragards,
Nikhil Maroli