On 4/06/2012 5:05 PM, Seera Suryanarayana wrote:
Dear all gromacs users,
While i am running pdb2gmx commond i
am getting following error.
Fatal error:
There were 22 missing atoms in molecule Protein_chain_A, if you want
to use
this incomplete topology.
I wont ignore the 22 missing atoms by using -missing commond. I would
like to construct a complete protein structure.But i dont know how to
construct the complete protein sturcture.Kindly tell me how to
consturct the complete protein and what are the softwares i have to
use here.
There is no general answer to this question. You have to examine the
file, see what is missing, perhaps find out why, and then perhaps use
various possible solutions. Some leads are here...
http://www.gromacs.org/Documentation/File_Formats/Coordinate_File
Mark
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