On Mar 14, 2014 1:04 AM, gromacs query gromacsqu...@gmail.com wrote:
Hi Jutsin
Thanks, I was thinking that .cpt has all the information which I assumed
would work like AMBER restart file to read time from .cpt (~ amber
restart)
file.
It does, but the grompp workflow creates the opportunity
Hi All
Though its mentioned here how to restart jobs:
http://www.gromacs.org/Documentation/How-tos/Extending_Simulations
but I tried to run something like this (by scripting) but copying here how
script is looping jobs:
#stage 1
grompp -f npt.mdp -c conf_1ns.gro -t state_1ns.cpt -p topol.top -o
