[gmx-users] Lysozime in Water

Negar Parvizi negar.parvizi at yahoo.com
Wed Oct 30 11:50:00 CET 2013

Dear Gromacs users
I use gromacs version 4.5.5. I have started with Lysozime in water
simulation. (Justin tutorials)
The md part of simulation was terminated. Now I want to continue the
simulation from the interruption point. Is this command line correct?
mdrun -deffnm md_0_1      -s    md_0_1.tpr       -cpi      md_0_1.tpr.cpt???

I am not sure whether to use only *-cpi md_0_1.tpr.cpt* with mdrun command
or both *.tpr* and .*cpt* files???
another question is that whether continuing the simulation should be done
via file *md_0_1.tpr.cpt*  or *md_0_1.tpr_prev.cpt* ? and what in the difference between them?

Thanks in advance

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