[gmx-users] autocorellation function

novice_md at hotmail.com novice_md at hotmail.com
Mon Apr 4 06:46:16 CEST 2016


Thanks for the reply. Below is the error messages I got.

Error in user input:
[2016-04-04T04:41:33Z]: Invalid input values
[2016-04-04T04:41:33Z]:   In option f
[2016-04-04T04:41:33Z]:     Required option was not provided, and the default file 'graph' does not
[2016-04-04T04:41:33Z]:     exist or is not accessible.
[2016-04-04T04:41:33Z]:     The following extensions were tried to complete the file name:
[2016-04-04T04:41:33Z]:       .xvg
[2016-04-04T04:41:33Z]: 
[2016-04-04T04:41:33Z]: For more information and tips for troubleshooting, please check the GROMACS
[2016-04-04T04:41:33Z]: website at http://www.gromacs.org/Documentation/Errors
[2016-04-04T04:41:33Z]: -------------------------------------------------------
[2016-04-04T04:41:33Z]: Halting program gmx analyze
[2016-04-04T04:41:33Z]: application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
[2016-04-04T04:41:34Z]: Exited with code 0
________________________________________
From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se <gromacs.org_gmx-users-bounces at maillist.sys.kth.se> on behalf of sun <sun.iba2 at gmail.com>
Sent: Sunday, April 3, 2016 9:30 PM
To: gmx-users at gromacs.org
Subject: Re: [gmx-users] autocorellation function

What kind of errors and please explain your system.

Sent from my iPhone

> On 04-Apr-2016, at 5:45 am, "novice_md at hotmail.com" <novice_md at hotmail.com> wrote:
>
> Hi all,
>
>
> I want to calculate the autocorrelation function of the system. I typed gmx analyze -ac. but I keep getting errors. Any help appreciated?
>
>
> Thanks
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