GROMACS version: 2018- 2020
GROMACS modification: NO
I am using gmx select to select the water molecules within a given distance from a protein at different time of my simulation and output the corresponding index files. And from this index I would like to output the X,Y and Z coordinates . However I have seen that this not yet possible since the gmx trajectory plot the
gmx trajectory plots coordinates, velocities, and/or forces for provided selections. By default, the X, Y, and Z … For dynamic selections, currently the values are written out for all positions that the selection could select."
Is there a workaround ?