[gmx-users] on-line doc. vs manual

Nestor Sanchez Fornillo nesanfor at criba.edu.ar
Sat Jul 6 19:12:42 CEST 2002


At the on-line documentation about user specified 
potential function [1] it seems to say something 
different from the manual [2]

[1]
http://www.gromacs.org/documentation/reference_3.0/onlin
e/mdp_opt.html#el. "This file should contain 5 columns: 
the x value, f(x), -f(1)(x), f(2)(x) and -f(3)(x), 
where f(n)(x) denotes the nth derivative of function f
(x) with respect to x." 

[2](Gromacs manual v 3.1 - 6.4.2, pag 116)"...with 
seven columns of table lookup data in the order: x, f
(x), f”(x), g(x), g”(x), h(x), h”(x)..."

Is this like it seems to me or I am misunderstanding 
the subject?

Thank you.

Nestor


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