[gmx-users] NVE of water

[Ran Friedman]

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?

Ran