[gmx-users] Re: NADP inferno

[Anton Feenstra]

Ruben Martinez Buey wrote:
[...]
> G96. Then you have to check wether all bond, angle, dihedral parameters
> are OK. I saw some little problems with the chirality, some dihedrals,
> angles... This is really tedious, but you can get it!


It is good practice to check automatically generated topologies
carefully anyway!


-- 
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)                               |
|_____________|_______________________________________________________|