Possible EXTERNAL Documentation Typo

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Zachary Smith

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Apr 28, 2021, 4:20:58 PM4/28/21
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Hello,

I was wondering if the following might be a typo in the PLUMED version 2.7 manual.

I have been working on implementing an external bias using periodic variables with the EXTERNAL function. It appears as if the text and example for periodic varibles found at https://www.plumed.org/doc-v2.7/user-doc/html/_e_x_t_e_r_n_a_l.html are inconsistent. The example file does not include a grid value at the CV maximum while the text instructions state "...and so on until you get to the one hundredth block of data where t1 is fixed at +pi." I get an error when I include grid values at +pi (the CV maximum) in my own file but currently have the simulation working when I do not include this point. Is there something I am missing?

Kind regards,
Zachary Smith

Giovanni Bussi

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Apr 29, 2021, 10:43:38 AM4/29/21
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Hi,

I think the manual is incorrect. Actually the example is a correct grid 3x3 (with 3 blocks) and you can see that is does not include the final value

Giovanni


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