[gmx-users] couple-moltype for two molecules

2011-03-31 Thread Luca Bellucci
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

[gmx-users] couple-moltype for two molecules

2011-03-31 Thread Luca
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

[gmx-users] couple-moltype for two molecules

2011-03-31 Thread Luca Bellucci
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

[gmx-users] couple-moltype for two molecules

2011-03-31 Thread Luca Bellucci
Dear all, 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