[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
-----------------------------------------------------
This mail sent through IMP: http://web.horde.org/imp/
More information about the gromacs.org_gmx-users
mailing list