Dear gmx-user, I try to build a pure water box in Gromacs, so I just solved one water as solute with genbox.
When I use tip3p water, my scripts work well. But to switch to tip4p water, there seems a bug, I don't know whether people have noticed this or not. The system shows that it added 350 water but just write 349 water in topology file, therefore failed the test of grompp. Any suggestion? ##################################################################### Added 350 molecules Generated solvent containing 1400 atoms in 350 residues Writing generated configuration to test_sol.gro Back Off! I just backed up test_sol.gro to ./#test_sol.gro.5# salt in water Output configuration contains 1404 atoms in 351 residues Volume : 9.95267 (nm^3) Density : 1055.19 (g/l) Number of SOL molecules: 350 Processing topology Adding line for 349 solvent molecules to topology file (test.top) #################################################################### -- Chao Zhang
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