[gmx-users] couple-moltype for two molecules
lcbllcc at gmail.com
Thu Mar 31 21:17:28 CEST 2011
I tried 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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