GROMACS version: 2019.4 (double precision)
GROMACS modification: Yes/No
I am trying to automate certain steps like:
gmx_mpi_d rms -s md.tpr -f md_PBC.xtc -o rmsd.xvg -tu ns < index
where index contains the options
4
4
But this isn’t working. I am getting
Program: gmx rms, version 2019.4
Source file: src/gromacs/topology/index.cpp (line 923)
Fatal error:
Cannot read from input
Same thing works for other sw. What is wrong? Noting mentioned in Using Commands in Scripts - Gromacs works. Is there something wrong in the sequence of my options?