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

[shikha nangia]

I want the velocity autocorrelation output in double precision. How can I get that?

Thanks,
SN

--- On Thu, 4/28/11, Mark Abraham <Mark.Abraham at anu.edu.au> wrote:

From: Mark Abraham <Mark.Abraham at anu.edu.au>
Subject: Re: [gmx-users] how to get higher precision values for g_velacc
To: "Discussion list for GROMACS users" <gmx-users at gromacs.org>
Date: Thursday, April 28, 2011, 8:21 PM

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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