Date: Sat, 17 Apr 2010 14:58:22 -0400
From: jalem...@vt.edu
To: gmx-users@gromacs.org
Subject: Re: [gmx-users] manual eq. 4.74-4.75 (dihedral restraints) head
scratcher
Daniel L. Ensign wrote:
Hello gmx-users, you rock and rollers,
Equations 4.74 and 4.75 in my copy
Hello gmx-users, you rock and rollers,
Equations 4.74 and 4.75 in my copy of the manual have (please pardon
my pseudo-LaTeX):
(4.74)
\phi' = (\phi - \phi_0) MOD 2\pi
(4.75)
V(\phi') = \frac{1}{2}k ( \phi' - \phi_0 - \Delta \phi )^2 if \phi'
\Delta \phi
or
V(\phi') = 0 if \phi' \leq
2 matches
Mail list logo
