[gmx-users] how to get higher precision values for g_velacc
Mark Abraham
Mark.Abraham at anu.edu.au
Fri Apr 29 02:21:36 CEST 2011
On 4/29/2011 4:48 AM, shivangi nangia wrote:
> Dear gmx users,
>
> I am using g_velacc to calculate the velocity auto correlation. The
> output I am getting in .xvg file is much lower precision than I require.
> Is there a way to get the values in higher precision?
Depends what you've done so far, but either you need to collect velocity
data more often, or in double precision, or both.
Mark
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