[gmx-users] Command line extend npt

Poncho Arvayo Zatarain poncho_8629 at hotmail.com
Wed Sep 14 20:01:03 CEST 2016

Hello: This is my command lines when i want to extend to 50 ns: I´m using gpus

gmx_gpu tpbconv -s npt.tpr -extend 50000 npt02.tpr

gmx_gpu mdrun -v -deffnm npt02 -cpi npt.cpt

And the program (Gromacs 5.0.2) says:

Can not open file: npt02.tpr

Also, in my carpet i only have the npt.tpr, not npt02.tpr. Do i need change npt02 for npt.tpr?

More information about the gromacs.org_gmx-users mailing list