On Mon, Sep 05, 2011, madhumita das wrote:
> 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.
We need details. The most common reason for problems like this is that the
atom or residue names in the PDB file don't match those in the .lib file.
But without more information, I'm just guessing.
....dac
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Received on Mon Sep 05 2011 - 17:30:05 PDT
