[gmx-users] Structure averaging problem using g_rmsf

[Spring buds]

Hi Justin,

Thanks for reply. I will look into.

On Fri, Mar 23, 2012 at 10:30 AM, Justin A. Lemkul <jalemkul at vt.edu> wrote:

>
>
> Spring buds wrote:
>
>> Hi
>>
>> I am trying to average the structure from the last 10ns from 100ns. So I
>> used the command which is below:
>>
>> g_rmsf –f 100.xtc –s topol.tpr –b 90001 –e 100000 –ox traj_avg.pdb
>>
>> But I got below error:
>> "Program g_rmsf, VERSION 4.5.4
>> Source code file: /root/Desktop/gromacs-4.5.4/**src/gmxlib/trxio.c,
>> line: 713
>>
>> Fatal error:
>> Specified frame doesn't exist or file not seekable"
>>
>>
> You're specifying a frame that doesn't exist, either 90001 or 100000.
>  Likely 90001 is not an actual time in the trajectory, thus giving rise to
> the "not seekable" error.
>
> -Justin
>
> --
> ==============================**==========
>
> Justin A. Lemkul
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> ICTAS Doctoral Scholar
> MILES-IGERT Trainee
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.**vt.edu/Pages/Personal/justin<http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin>
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