anoop dimri wrote:
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.
See http://wiki.gromacs.org/index.php/specbond.dat
Mark
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