[gmx-users] Regarding Simulation

[Quyen Vu]

Hi,
That is normal, Gromacs writes checkpoint in case of your simulation crash
(electric power issue or time limit) so that Gromacs can continue the
simulation from the checkpoint. By default, 15min is the time interval of
writing checkpoint

On Sun, May 26, 2019 at 8:16 AM Omkar Singh <omkantnirala92 at gmail.com>
wrote:

> Hello gromacs users,
> I am doing protein-water  simulation with calculating velocity. I am
> getting thins kind of checkpoint files,
>
> Energies (kJ/mol)
>        G96Angle    Proper Dih.  Improper Dih.          LJ-14     Coulomb-14
>     1.92508e+03    1.15716e+03    6.91130e+02   -1.22494e+02    1.70241e+04
>         LJ (SR)  Disper. corr.   Coulomb (SR)   Coul. recip.      Potential
>     9.37486e+04   -2.58204e+03   -6.26105e+05    1.62962e+03   -5.12634e+05
>     Kinetic En.   Total Energy  Conserved En.    Temperature Pres. DC (bar)
>     8.23638e+04   -4.30270e+05   -1.00795e+06    2.97016e+02   -1.27048e+02
>  Pressure (bar)   Constr. rmsd
>    -1.49490e+02    2.24907e-05
>
> Writing checkpoint, step 89675360 at Sun May 26 08:34:47 2019
>
>
> Writing checkpoint, step 89679840 at Sun May 26 08:49:54 2019
>
>
> Writing checkpoint, step 89684160 at Sun May 26 09:04:53 2019
>
>
> Writing checkpoint, step 89688640 at Sun May 26 09:19:57 2019
>
>
> Writing checkpoint, step 89693200 at Sun May 26 09:34:45 2019
>
>
> Writing checkpoint, step 89697280 at Sun May 26 09:50:18 2019,
> Why it is happening? Can any tell?
> Thanks
> --
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