[gmx-users] -extend problem

gromacs query gromacsquery at gmail.com
Fri Jul 4 00:05:28 CEST 2014


Hi All

I generated my npt.tpr with:


tinit=0

dt=0.002

nsteps=125000

I am trying to extend simulation for 250 ps like this:

tpbconv_mpi -s npt.tpr -o npt_new.tpr -extend 250


But when I used this npt_new.tpr simulation it ran for 500 ps. Have I
missed something?


Also one more thing why the Gromacs user archive search engine does not
work like before?


Thanks for any help

JIom


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