> I want to get topology and co ordinate files of a modified residue.In order
> to this I have made frcmod and .lib(using Xleap) file for the modified
> residue of cysteine named as CYP,but after loading the force-field file and
> CYP.lib file whenever I go to load the pdb file,leap gives the result that
> none of the atoms are present in the residue template and thus at the time
> of saving topology file fatal errors come as none of the atoms has any known
> atom type.
The atom names in the pdb file have to be the same as in the model
(CYP.lib).
Bill
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Received on Mon Sep 05 2011 - 21:00:02 PDT
