Re: colavrs ABF restart not matching

From: Giacomo Fiorin (
Date: Tue Dec 10 2013 - 11:40:38 CST

Hello Kasra, if you disable ABF and run two unbiased MD simulations from
the same restart file, and run for a few million MD steps, do you ever see
the exact same trajectory between the two files?


On Tue, Dec 10, 2013 at 12:30 PM, Kasra Fattah <>wrote:

> Hi all,
> I'm doing an ABF simulation, I ran the system for a few nanoseconds and
> then I tried to continue that simulation with the respective restart files
> from the initial simulation, (I'm using colvars as a library in LAMMPS)
> I launched two exactly the same simulations based on the config file and
> restart files and also number of processors, but the trend between two
> continuations starts to deviate after some time! Shouldn't I expect exactly
> the same trends between these two runs? or is there any randomness in
> effect somewhere?
> I'd really appreciate it if you clarify this to me.
> Cheers,
> Kasra.

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