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

abhisek Mondal abhisek.mndl at gmail.com
Sat Apr 22 20:22:10 CEST 2017


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.

Please suggest me a way out here.

Thank you

Abhisek Mondal

*Senior Research Fellow*

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

*Kolkata 700032*


More information about the gromacs.org_gmx-users mailing list