[gmx-users] Caps of the Peptides

[Anton Feenstra]

Abhishek Jha wrote:
> Dear List,
>  I am trying to switch to use gmx and the first problem I ran into was
> capping my peptide. I can see NME (or NAC) in the aminoacids.dat file and
> as well as in ff*.rtp but the pdb2gmx fails to recognize it. Any
> suggestion and help will be appreciated.


What is the error you get from pdb2gmx? (pdb2gmx usually is quite informative...)


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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|             | Costello)                                             |
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