[gmx-developers] Single letter residue types in rtp files

[Anton Feenstra]

David van der Spoel wrote:
> Isn't it quite common to designate DNA by single letter codes as well?
> 
> That would point towards a solution that allows single letter codes 
> anyawy..

Sure, if your residue name is only one letter, a one-letter match would 
be the perfect one. My code was intended to match, e.g., 'LYS' to 
'LYSH'. But you wouldn't want to match 'PHE' to 'PRO' just because the 
first letter matches, nor would you want 'CYS' to match 'C'... ;-)


-- 
Groetjes,

Anton

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|  _   _  ___,| K. Anton Feenstra                                     |
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