Is there a way to open and edit my tpr file?

User discussions
1

Hello everyone

I want to perform **MMGBSA for my protein-protein interaction MD simulation, using output files by the use of gromacs2020, but when I use my md_protein.tpr file (topology), error happens. The error is related to my residue because when I opened my pdb file with pdbeditor I saw “82A” in the column of residues and I think it should be edit to “82” : I have attached a picture of a part of my pdb file.

Now Is there a way to open and edit my tpr file and rename 82A to 82?

input file pdb
input file pdb800×178 5.9 KB

2

Hi,
the tpr file contains information from the gro/pdb, top and mdp file. The best approach is to use the tpr file together with the gro/pdb file that was used to generate it (tpr file) or to generate a new tpr (using gmx grompp). There is not way to edit the tpr and change information that you describe.
I hope it helps
Alessandra