| 1:00:18 PM PST - Mon, Jan 23rd 2012 |
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Dear NWChem Users,
I am trying to generate topology file using pdb file. Total number of atoms is 40914 and residue is 12338 including protein, nucleic, ions and water. After resid 999 that is from resid 1000 to resid 1233 while I am generating topology file creates some error like "Coordinates missing for atom", but everything is correct, I checked with vmd for thsoe residues. Basically those are water, but for other waters work perfect. So why after resid 999 to resid 12333 creates problem. Please suggest any suggessions.
Could you please provide me information about each line of topology file, what exactly indicates, it will be great help for me.
Have a nice weekend,
Thanks,
Maiti
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