[gmx-users] umbrella sampling on GPU

Diana Fusco diana.fusco at duke.edu
Wed May 16 17:11:34 CEST 2012


I am using Gromacs 4.5 to perform umbrella sampling on CPU. I know that 
right now the GPU implementation does not support any pull code. Is it 
going to be available soon? Are angular restraints going to be supported 
as well?

Thank you

Diana Fusco
Graduate Student
Computational Biology and Bioinformatics
Duke University

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