[gmx-users] couple-moltype for two molecules

Luca lcbllcc at gmail.com
Thu Mar 31 15:50:10 CEST 2011

Dear all,
I tryed to use "couple-moltype=Protein Ligand" directive   
to annihilate both protein and ligand molecules using free energy method.
I realized that couple-moltype key works for only one molecule type.
Is it right? 

To perform the same annihilation I used
"couple-moltype=Protein" to annihilate the protein and dual topology
 formalism (definied in itp file) to annihilate the ligand.
Are these commands able to work together?

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