[gmx-users] Solvent_box

pkmukher pkmukher at olemiss.edu
Thu Jul 12 20:57:56 CEST 2007


  Sorry for the inconvenience caused. The output from the
script suggests that the pdb file is written. However when i
open the pdb file the solvent box is not created in full.
Since i could not provide the structure on the mailing list
it was a bit difficult for the other person to comprehend
the problem. 

  Anyways the problem was that i ran out of disk space in
the directory while writing the output pdb file. The genbox
script did not give me a warning that the whole file was not
written due to memory issues. I was therefore trying to
figure out if i was giving any wrong parameters. I moved to
a different disk with a higher ceiling and it worked in the
desired manner.Again,I am extremely sorry for the
inconvenience caused..Sincerely Prasenjit 

Prasenjit Kumar Mukherjee
Graduate Student
Department of Medicinal Chemistry
School of Pharmacy
University of Mississippi

Cell   - 662 380 0146
Office - 662 915 1286 

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