[gmx-users] Bug in g_rms -> calculate RhoSc ??

K.A. Feenstra Feenstra at chem.vu.nl
Tue Dec 17 09:54:32 CET 2002


David van der Spoel wrote:
> 
> Did you look at MArc's figures? It seemed like PBC errors to me... Or
> maybe lsq fitting errors.

What type of system is this? Maybe a di-(or multi-)mer across the box
edge could do this? Marc, could you also put up the normal rms figure?


-- 
Groetjes,

Anton
  ________ ___________________________________________________________
|        | Anton Feenstra                                            |
| .      | Dept. of Pharmacochemistry - Vrije Universiteit Amsterdam |
| |----  | De Boelelaan 1083 - 1081 HV Amsterdam - The Netherlands   |
| |----  | Tel: +31 20 44 47608 - Fax: +31 20 44 47610               |
| ' __   | Feenstra at chem.vu.nl - http://www.chem.vu.nl/afdelingen/FAR|
|  /  \  |-----------------------------------------------------------|
| (    ) | Dept. of Biophysical Chemistry - University of Groningen  |
|  \__/  | Nijenborgh 4 - 9747 AG Groningen - The Netherlands        |
|   __   | Tel +31 50 363 4327 - Fax +31 50 363 4800                 |
|  /  \  | K.A.Feenstra at chem.rug.nl - http://md.chem.rug.nl/~anton   |
| (    ) |-----------------------------------------------------------|
|  \__/  | "If You See Me Getting High, Knock Me Down"               |
|        | (Red Hot Chili Peppers)                                   |
|________|___________________________________________________________|




More information about the gromacs.org_gmx-users mailing list