Hello,
the same happens to me on several computers, but it depends on the system.
I'm sorry I cannot dig the examples right now to add more precise information.
Could be shake? The system that fails is full of constraints.
Marcelo.
mdrun will not leak memory that badly. I would guess your outp
tries I
> concluded that
> the output is actually r*G, which is not something really useful.
> I wonder if someone could look at the code and confirm this doubt in
> one way or another.
>
> Many thank,
>
> Marcelo Carignano.
>
> PS: I couldn't find th
that
the output is actually r*G, which is not something really useful.
I wonder if someone could look at the code and confirm this doubt in
one way or another.
Many thank,
Marcelo Carignano.
PS: I couldn't find this on the list, but it has been difficult to
access the
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