[gmx-users] putting step wise constraints in energy minimization

[Sadaf Rani]

Dear Gromacs users
I want to run energy minimization in steps
first to remove clashes with ions, second keeping position of heavy atoms
fixed and thirdly removing all constraints. How can I set this in mdp file
for ions and protein atoms?

Thanks

Sadaf Rani
Ph.D. visiting student
Lancaster University
UK