On Mon, Apr 19, 2021, jacob wick wrote:
>&wt
>type='DUMPFREQ', istep1=50, /
>&wt
>type='END',
>&end
>DISANG=restraints.dat
Note that in the type='END' namelist, you are using the outdated "&end"
sigil, rather than the more correct "/". It's possible that this is
confusing the program.
Along the same lines look at the output before this message:
> "RESTRAINTS:
> No valid redirection requests found
> ** No restraint defined **"
Did it report correctly on the weight change commands?
>1. Am I using a correct approach to achieve no interaction between M1 and
>I1 during the course of simulations?
We don't know what you are trying to achieve, or how you plan to use the
results of the simulation. It would be better to say that you are trying to
keep I1 and M1 apart from each other: they will still interact, and Coulomb
forces can go a long way.
....dac
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Received on Tue Apr 20 2021 - 05:30:04 PDT
