[gmx-users] simulated annealing

davide.ruffoni davide.ruffoni at email.it
Tue Mar 9 12:58:00 CET 2004

Hi,  I'm trying simulated annealing on a system made up of N molecules of SPC  
water and a protein (248 residues), here is my mdp:  
annealing           = single single  
annealing_npoints   = 1 1  
annealing_time      = 0 5 0 5  
annealing_temp      = 300 1 300 1  
I get Fatal error: Please specify at least a start and an end point for  
In addition I'm not quite sure how to set annealing_npoints.  
Davide Ruffoni  
Politecnico di Milano  

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