On Thu, Jul 31, 2014 at 5:47 PM, J.W. Halley <woods.woods1.spa.umn.edu>
wrote:
>
> Warning: detected more than 10 Residue sequence numbers;
> this may be a large multiple residue PDB file;
> large multiple residue PDB files are not supported.
> Continuing, but problems may be encountered.
> Segmentation fault
>
> Certainly my file contains more than 10 residues. Am I supposed to
> generate a separate pdb file for the RET and CLR residues? I certainly
> don't know how to do that.
Yes, you are supposed to generate a separate PDB file for RET and another
for CLR and parametrize each of those compounds separately.
Doing so is easy. Open the PDB file up your favorite text editor. Copy
the lines containing the atoms in the RET residue and paste them into a new
file. Do the same thing with CLR.
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Thu Jul 31 2014 - 15:00:04 PDT
