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backward.py -kick feature silently turned off
- cneale
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3 years 11 months ago #8523
by cneale
backward.py -kick feature silently turned off was created by cneale
Hello,
I have obtained backward package from here: github.com/Tsjerk/Backward
I am surprised to see that although there is a random kick option "backward.py -kick", it appears to be nullified on line 190 of backward.py:
if False and res not in solvent_stuff:
that will always fail and therefore disallow the random kicks on the next line:
x,y,z = kick(x,size),kick(y,size),kick(z,size)
Does anybody know why random kicks have been disallowed? It may also be useful to remove the command line option entirely vs. this particular method of avoiding wholesale random kicks.
Thank you,
Chris.
I have obtained backward package from here: github.com/Tsjerk/Backward
I am surprised to see that although there is a random kick option "backward.py -kick", it appears to be nullified on line 190 of backward.py:
if False and res not in solvent_stuff:
that will always fail and therefore disallow the random kicks on the next line:
x,y,z = kick(x,size),kick(y,size),kick(z,size)
Does anybody know why random kicks have been disallowed? It may also be useful to remove the command line option entirely vs. this particular method of avoiding wholesale random kicks.
Thank you,
Chris.
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- riccardo
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3 years 11 months ago #8548
by riccardo
Replied by riccardo on topic backward.py -kick feature silently turned off
Hi Chris,
indeed, I think you are right. No idea - will forward to Tsjerk.
indeed, I think you are right. No idea - will forward to Tsjerk.
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