[gmx-users] One molculetype for 3 proteins

Steven Neumann s.neumann08 at gmail.com
Thu May 24 16:42:19 CEST 2012

Dear Gmx Users,

I want to use distance restraints of 3 atoms which belong to 3 different
proteins. For this purpose I want to create one topology so one

I tried to use pdb2gmx -chainsep ter (where i put TER after each chain in
my PDB)

But 3 separate topologies were created.

I want to adjust proper charges for each teraminals but pdb2gmx without
-chainsep will treat it as a one molecule.

Please help.

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