On 25/09/12 17:46, Victor Ruehle wrote:
Oh, yea. Looking at the row numbers you plotted that seems to be the case :)
Indeed I checked and the potential converges nicely. Sorry for wasting
your time. Dammit, it's a bit I don't use tables in Gromacs and my
memory was a bit rusty.
you can also check the votca potential tables: CG-CG.pot.new / CG-CG.pot.cur
Right, thanks.
Sorry again and thanks,
Massimo
Victor
2012/9/25 ms <[email protected]>:
On 25/09/12 15:34, Victor Ruehle wrote:
For me the tutorial seems to run smoothly so far. What worries me a
bit in your case is the magnitude of the CG-CG potential. Could you
please send your whole input folder where you run the simulation
(excluding the step_???) directly to [email protected] ?
Wait. I just suspect it was a dumb error on my part -namely, I was probably
plotting the derivatives (force)?
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Massimo Sandal, Ph.D.
http://devicerandom.org
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