[gmx-users] autocorellation function

sun sun.iba2 at gmail.com
Mon Apr 4 07:49:17 CEST 2016


Have you provide any input? Or just gmx analyze -ac? I mean you have not used -f flag? If not please go through the command and given option once again

Sent from my iPhone

> On 04-Apr-2016, at 10:16 am, "novice_md at hotmail.com" <novice_md at hotmail.com> wrote:
> 
> 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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