Hi,
In Gromacs 3.3 and earlier that depended on whether you were writing
velocities & coordinates to the full precision trajectory - we can
only restart from a frame where we have that.
Starting with Gromacs 4, runs are automatically checkpointed every 15
minutes (by default). Then you ca
vivek sharma wrote:
Hi There,
I am running a long MDS for one protein molecule in water, To avoid
error I am running the simulation in parts like 20 nsec each.
Each time I am creating a new tpr, trr and edr using the tpbconv and mdrun.
Last time when I fired a job for 60-80 nsec then the job
Hi There,
I am running a long MDS for one protein molecule in water, To avoid error I
am running the simulation in parts like 20 nsec each.
Each time I am creating a new tpr, trr and edr using the tpbconv and mdrun.
Last time when I fired a job for 60-80 nsec then the job crashed because of
some po
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