[gmx-users] use script/command to provide interactive options
abhisek.mndl at gmail.com
Sat Apr 22 20:30:26 CEST 2017
I had seen your post before posting again. I just misunderstood something.
Got it cleared.
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:
>> 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
>> 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:
> It's the first result in Google for a variety of phrases :)
> Justin A. Lemkul, Ph.D.
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