Hi all gromacs users. I am using gromacs v 3.3.3 on 32 bit system with suse-linux. I am working with protein and using Gromos96 43a1 force-field. When i generate topology file through pdb2gmx, i found that some bond types, angle types and Dihedral angle types are missing. Some of these are related to S-S bridge and remaining are related to HEME's Fe (intra-residual and inter-residual). Should I fill this manually in top file ? If anyone know why this thing is happening, so please give me suggestion.
Thank you. Anoop Dimri M.S.(Pharmacoinformatics) NIPER Kolkata INDIA
_______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php