Mark Abraham wrote: > On 2/03/2010 12:39 AM, Ran Friedman wrote: >> Hi, >> >> I would still argue that double precision is important. > > Oh? The discussion of Table 4 of > http://pubs.acs.org/doi/abs/10.1021/ct700301q (2008 GROMACS 4 JCTC > paper) suggested to me that single-precision NVE could be done well in > GROMACS. Am I missing something? > > Mark "The presented benchmarks were performed in the NVT ensemble" (section IX). Or am I missing something?
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