[gmx-users] hbond between backbone atoms

Ming Tang m21.tang at qut.edu.au
Tue Jun 28 12:41:46 CEST 2016


Dear list,

I want to calculate hbond between backbone atoms on different chains of my protein only. but when it give me this error "nothing to be none".
I used this command: gxm hbond -f traj.trr  -s topol.tpr -num hbnum.xvg -a 30  -r 0.5
I can use this command to get hbond between protein and protein.
Can anybody give me some suggestions?

Thank you


More information about the gromacs.org_gmx-users mailing list