[gmx-users] how to get higher precision values for g_velacc
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.
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