[gmx-users] extending SMD simulation

Ming Tang m21.tang at qut.edu.au
Sat Jun 6 04:23:50 CEST 2015


Dear gromacs experts,

I want to extend my SMD simulation. After using gmx convert-tpr -s previous.tpr -extend 10000 -o next.tpr, I found traj.trr and traj_comp.xtc were updated to the previous ones, but both the pullx.xvg and pullf.xvg were not modified. How can I get those two files updated in the extend simulation?

Thanks in advance.


More information about the gromacs.org_gmx-users mailing list