[gmx-users] grompp in make hole

[Anton Feenstra]

nanyu101 wrote:
[...]
> initialising group options...
> processing index file...
> Fatal error: Atom 6656 in multiple T-Coupling groups (2 and 0)

You have an error in your .mdp file.

-- 
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/       |
|             | "I'm Not Gonna Die Here !" (Sphere)                   |
|_____________|_______________________________________________________|