[gmx-users] SEP and HO atom type

Anton Feenstra feenstra at chem.vu.nl
Tue Feb 4 13:59:22 CET 2003


Luciane Vieira de Mello wrote:
[...]
> I am not sure if I am checking the right file:
> ffG43a1nb.itp
> where I tried to add the HO atomtype from ffgmx2nb.itp, including the
> pairtypes.

There is also a .atp file (for Atom TyPes), but IIRC that is only
used by pdb2gmx and not grompp... ;-(


-- 
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