[gmx-users] use script/command to provide interactive options

[abhisek Mondal]

My apologies.
I had seen your post before posting again. I just misunderstood something.
Got it cleared.
Thank you.

On Sat, Apr 22, 2017 at 11:53 PM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 4/22/17 2:22 PM, abhisek Mondal wrote:
>
>> Hi,
>>
>> I'm trying to perform this following operation with gromacs:
>> trjconv_mpi -s pull.tpr -f traj.xtc -o confout.gro -sep
>> and I want to supply the upcoming prompt of this above command as 0
>> (zero).
>>
>> Can you please tell me how can I run it in a batch/non-interactively ?
>> I found that g_rms got -flags option but it is not working in trjconv.
>>
>>
> I seem to post this link weekly or more often:
>
> http://www.gromacs.org/Documentation/How-tos/Using_Commands_in_Scripts
>
> It's the first result in Google for a variety of phrases :)
>
> -Justin
>
> --
> ==================================================
>
> Justin A. Lemkul, Ph.D.
> Ruth L. Kirschstein NRSA Postdoctoral Fellow
>
> Department of Pharmaceutical Sciences
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> University of Maryland, Baltimore
> 20 Penn St.
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>
> jalemkul at outerbanks.umaryland.edu | (410) 706-7441
> http://mackerell.umaryland.edu/~jalemkul
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-- 
Abhisek Mondal

*Senior Research Fellow*

*Structural Biology and Bioinformatics Division*
*CSIR-Indian Institute of Chemical Biology*

*Kolkata 700032*

*INDIA*