Re: [gmx-users] looping job: time not updating

On Mar 14, 2014 1:04 AM, "gromacs query" 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 & necessity to

Re: [gmx-users] looping job: time not updating

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. regards Jiom -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_

Re: [gmx-users] looping job: time not updating

On 3/13/14, 7:29 PM, gromacs query wrote: 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

[gmx-users] looping job: time not updating

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