[gmx-users] Generating topology

Spring buds winterhot82 at gmail.com
Thu Mar 22 04:54:09 CET 2012


Hi

A protein sits on the top of another protein (not docking). I then used
pdb2gmx command to generate the topology. Surprisingly, i got  five files,
as given below: I think the two proteins are not connected each other. is
it possible to make it one posre and topol file.

Many thanks in advance

posre_Protein_chain_A.itp
posre_Protein_chain_A2.itp
topol.top
topol_Protein_chain_A.itp
topol_Protein_chain_A2.itp
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