[gmx-users] distances for all atoms

Wang, Xiaoxiang xiaoxiang.wang at mpic.de
Tue Oct 9 11:53:21 CEST 2018

I want to measure the distance between the com of group "SOL" and all atoms named OW (not the com of these atoms!!).

I tried to use

gmx distance -s md.tpr -f nvt1.part0001.trr -n index.ndx -select 'com of group "SOL" plus name "OW"' -oall

but it is not right. Do you have any answer?

best regards

More information about the gromacs.org_gmx-users mailing list