[gmx-developers] building block in rtp file

[Anton Feenstra]

Lakshmi Padmavathi wrote:
> 
> for testing, i replaced the ALA (alanine) with YYY in rtpfile,hdb and 
[...snip...]
> Fatal error: Residue 'YYY' not found in residue topology database
[...snip...]
> i paste my building block here.
> 
> [ XXX ]
[...snip...]

If what you write is correct, you have named the residue 'XXX' in the
.rtp (as per your 'pasted' building block) but 'YYY' in the .pdb (as
per the pdb2gmx error message)? THat would explain your problem!


By the way, IMHO this discussion should be on the user list (where it
started), not the developers...


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
|(   |   )| | | De Boelelaan 1083 - 1081 HV Amsterdam - Netherlands   |
| \_/ \_/ | | | Room P275  Tel: +31 20 44 47608  Fax: +31 20 44 47610 |
|             | Feenstra at chem.vu.nl - www.chem.vu.nl/~feenstra/       |
|             | "Don't Push Me, Cause I'm Close to the Edge" (Tricky) |
|_____________|_______________________________________________________|