[gmx-users] is there a error in manual?

David van der Spoel spoel at xray.bmc.uu.se
Mon Jan 16 10:38:57 CET 2006


sangyongliang99 at mails.tsinghua.edu.cn wrote:
> Dear David:
> I am reading Gromacs user manual Version 3.2.
> In page 51, I think expression (4.9) have something wrong that the third minus
> shoud be positive sign. am I right? 
Thanks,

in fact, the first minus sign should go, since F = -dV/dr
The code is OK though.

> 
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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