[gmx-users] pdb2gmx: Bond type, Angle type, Dihedral angle type missing in topology file.
Mark.Abraham at anu.edu.au
Mon Feb 2 08:28:29 CET 2009
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
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