[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






More information about the gromacs.org_gmx-users mailing list