[gmx-users] gen_vel error

Carla Jamous carlajamous at gmail.com
Mon Mar 15 14:28:44 CET 2010

Hi everyone,
Please I made an error during my simulation:
I ran my simulation in the following way for many steps:
grompp -v -f md.mdp -c ax.pdb -t bx.trr -e dx.edr -o ex.tpr -p fx.top
mdrun -v -s ex.tpr -o gx.trr -c hx.pdb -x ix.xtc -e md.edr -g md.log

But in my em.mdp,
I kept: gen_vel = yes

So is my simulation correct or does it generate velocities each time?

I mean, what is meaningful: gen_vel or grompp -t -e ?

Thank you
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