[gmx-users] One molculetype for 3 proteins

[Steven Neumann]

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
moleculetype:

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.

Steven
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20120524/489f8063/attachment.html>