[gmx-users] pdb2gmx -chainsep vs -merge

nahren manuel meetnahren at yahoo.com
Mon Sep 6 23:15:43 CEST 2010


Dear Gromacs Users,
Has anybody merged all chains in a PDB file using -chainsep. because -chainsep does not
seem to work.

http://www.mail-archive.com/gmx-users@gromacs.org/msg33192.html

Is there a alternate way of doing it ?, 
One way I could think of is to add the atoms numbers in the  topologies.

would appreciate better ideas..

Best,
nahren



      
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