[gmx-users] Ligand bond

Andrea Carotti and.carotti at farmchim.uniba.it
Thu Oct 20 11:15:56 CEST 2005

Hi Abelius and Tserjk,
I will explain my modus-operandi:
in similar situation I've linked (using the specbond.dat file) the proper 
atoms, then I've completed manually the topology file created using the 
gromos book,
infact some parameters (like angles,bond and dihedrals) are missing.
If you want a very good tutorial about drug-enzime complex is here
For the perl module, sincerely I don't know nothing about that.

More information about the gromacs.org_gmx-users mailing list