[gmx-users] units of bonding parameters in ffG43a2bon.itp

Anton Feenstra feenstra at chem.vu.nl
Fri Aug 6 09:40:38 CEST 2004


Andrey V Golovin wrote:
> AQ> and CB? 
> 
> Kj/mol/nm^4
> 
> F= Kj/mol/nm = CB*(r^2-b^2)*r

I'd like to remind all of you (again) that there is a very good manual
on-line (which we put much effort in to get it as it is now and keep it
up-to-date!) that describes all these issues in quite some detail. The
table of contents is very detailed, and should allow you to find the right
page in a matter of minues, and in addition there is an extensive alphabetical
index as well! (Not to mention Acrobat's search option...)

Find it at: http://www.gromacs.org/documentation/paper_manuals.php
and try, e.g., 'manual-3.2.pdf' at ftp://ftp.gromacs.org/pub/manual/3.2/manual-3.2.pdf


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
|(   |   )| | | De Boelelaan 1083 - 1081 HV Amsterdam - Netherlands   |
| \_/ \_/ | | | Tel: +31 20 44 47608 - Fax: +31 20 44 47610           |
|             | Feenstra at chem.vu.nl - www.chem.vu.nl/~feenstra/       |
|             | "If You See Me Getting High, Knock Me Down"           |
|             | (Red Hot Chili Peppers)                               |
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