GROMACS version: 2021.5
GROMACS modification: No
I am seeking guidance on implementing distance restraints in a system with multiple distinct molecules, as defined in the [molecules] section of the .itp file. Lets say my simulation involves a solution containing 20 molecules, and I wish to maintain constant distances between specific atom in those molecule with another atom in my system.
Could you please advise on the feasibility of achieving this without having to group all entities under a single [moleculetype] and using the [distance_restraints]? Are there alternative approaches or best practices within GROMACS for setting up such a system?
Thank you for your assistance.