[gmx-users] coordinate files for molecules consisting of new (non-standard) residues

[Teresa Silva]

Dear gromacs users,

 

I am trying to set up a system with new (non-standard) residue blocks to
study polymers and polymer-protein conjugates; however we will not have pdb
files of molecules that we want to study.  

 

 Is there a way of generating coordinate files and other necessary Gromacs
files using only a sequence of these novel residues instead of the using pdb
file and pdb2gmx?

 

Thank you

 

Teresa

 

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