[gmx-users] Sorting pdb file.

Sheeja vasudevan vasudevan at iit.edu
Tue Aug 29 21:40:40 CEST 2006


Hello
I have a pbd file (6240 atoms) which i want to use to  make toplogy 
file. However the atoms are not in sequence, that is, atom 1 in the 
file is bonded to atoms 2499,345 ,1935 and 370 and so on.. I want to 
number them according to their bonding. Is there some program available 
to do this?
Thank you for the help!
Sheeja.




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