Dear Gromacs Users, I am using gromacs version 4.5.5. , while running grompp (for any purpose i.e. minimization , equilibration etc. ) I am getting following screen output without any warning, error or note relevant to it. "Generated 830 of the 2346 non-bonded parameter combinations Excluding 3 bonded neighbours molecule type 'Protein_A' Excluding 3 bonded neighbours molecule type 'Protein_B' Excluding 2 bonded neighbours molecule type 'SOL' Excluding 2 bonded neighbours molecule type 'SOL' " My question is whether to ignore or consider this as an error ? I really don't know why this screen output is coming which I never faced ? Is there any mistake by me ? Please suggest .
cg.mdp for reference ; Conjugate Minimization ; Protein - Water - Ligand ( all free to move) ; ; ; Title = Pro-Lig H2O define = -DFLEXIBLE ; specifies flexible water constraints = none integrator = cg nsteps = 2000 ns_type = grid rlist = 1.2 coulombtype = pme vdw-type = cut-off rvdw = 1.2 rcoulomb = 1.2 ; ; Energy Minimization Stuff ; ; emtol = 0.0000001 emstep = 0.01 Thanking you in advance . Regards, Pavan Payghan -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
