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As I understand, if there are "special" molecules in a pdb file, pdb2gmx cannot convert it. However, PRODRG can create an *.itp file for that molecule, so that I can include it in the generated topology file. But how can I place the molecule in it's original position? Or even better, how can I convert the original ("full") .pdb file for gromacs?
- [gmx-users] special molecule Tamas Horvath
- Re: [gmx-users] special molecule Mark Abraham
- Re: [gmx-users] special molecule Dongsheng Zhang
- Re: [gmx-users] special molecule Alan Dodd
- Re: [gmx-users] special molecule Tamas Horvath
- Re: [gmx-users] special molecule Mark Abraham
- Re: [gmx-users] special molecule Tamas Horvath
- Re: [gmx-users] special molecule Florian Haberl
- Re: [gmx-users] special molecule Mark Abraham
- Re: [gmx-users] special molecule Tamas Horvath
- Re: [gmx-users] special molecule Dongsheng Zhang