Hi Gromacs Friends, I run a Production run with saving the co-ordinates and velocity after every 500 steps for 20ns.. Now I want to extend the run but with saving the co-ordinates and velocity after every 1000 steps for next 30ns (total 50ns)
To perform these task I am using following command 1. grompp -f <New mdp file just change in saving output> -t <.cpt> -c <.gro file(gro file from position restrained run )> -o new.tpr 2. tpbconv -s new.tpr -0 extend.tpr -extend 30000 3. mdrun -v -deffnm extend -cpi <.cpt> -append Is these approach is correct?? Second query; To rerun the crash run, users give .cpt file as input to -mdrun, My query is, There are two cpt file a) pre.cpt b) .cpt , So which one has to given as input??? All suggestion are welcome... With Best Wishes, Rama david
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