[MMTK] Length one peptides in PDB files

khinsen@cea.fr khinsen at cea.fr
Fri Jan 20 11:02:25 CET 2006


On Jan 19, 2006, at 17:20, Peter wrote:

> As the "chain" is only length one, this means that the tyrosine is  
> both
> n-terminal and c-terminal - something the current MMTK database  
> does not
> include.

True. The reason they are not in the database is that they are not in  
the Amber94 topolgy files, from which the MMTK database was initially  
created. This also means there are no Amber94 parameters for them.

Creating the database files would be a minor exercise, but finding  
suitable force field parameters perhaps isn't.

Konrad.
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