[gmx-users] umbrella sampling on GPU with Gromacs 4.6

Diana Fusco diana.fusco at duke.edu
Mon Jul 8 18:08:05 CEST 2013


I'd like to know if it is possible with Gromacs 4.6 to perform umbrella 
sampling using GPU with orientational restraints. If it is, can you give 
me a simple example of mdp file to see how it works?


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