[gmx-users] dihedral format in top file?

Hi, I am inexperienced with gromacs and I would like to figure out the format of all parts of a .top file, needed for Gromacs. I am trying to understand the input format so I can write a program for automatic setup for small molecule ligands with Gromacs, using the oplsaa force field. I have recen

[gmx-users] newbie question about GROMACS input files

Hi all! I am new to the Gromacs mailing list and just started looking into Gromacs for MD simulations. I have been working on converting BOSS output into automatic NAMD input for small molecule ligands and now want to create a similar program for Gromacs input. I have a question regarding the inpu