[gmx-users] Simulated Annealing command line

[Neena Susan Eappen]

Hello gromacs users,

For simulated annealing, I want to repeat cycle (equilibration, annealing, production run, energy minimization) say n times with the energy minimized structure from end of cycle 1 to be used as starting structure for cycle 2. I was wondering is there a way to do this as a loop with just one command line?

Many thanks,

Neena Eappen
Graduate Student
Jockusch Lab<http://www.chem.utoronto.ca/wp/jockusch/>, U of T