[gmx-users] sample MDP files for gradual heating

[Dallas B. Warren]

You need to look at the following section which deals with the
parameters specified within the .mdp file to do what you want to ...

7.3.15 Simulated Annealing page 145

Catch ya,

Dr. Dallas Warren
Lecturer
Department of Pharmaceutical Biology and Pharmacology
Victorian College of Pharmacy, Monash University
381 Royal Parade, Parkville VIC 3010
dallas.warren at vcp.monash.edu.au
+61 3 9903 9524
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When the only tool you own is a hammer, every problem begins to resemble
a nail.