I am using Gromacs version 5.0.4 and on running COM pulling, i got the following error. i have used this parameter file .

ERROR 1 [file md_pull.mdp, line 65]:

Invalid enum 'yes' for variable pull, using 'no'

Next time use one of: 'no' 'umbrella' 'constraint' 'constant-force'

Back Off! I just backed up mdout.mdp to ./#mdout.mdp.19#

WARNING 1 [file md_pull.mdp, line 65]:

Unknown left-hand 'pull_ngroups' in parameter file

WARNING 2 [file md_pull.mdp, line 65]:

Unknown left-hand 'pull_ncoords' in parameter file

WARNING 3 [file md_pull.mdp, line 65]:

Unknown left-hand 'pull_group1_name' in parameter file

WARNING 4 [file md_pull.mdp, line 65]:

Unknown left-hand 'pull_group2_name' in parameter file

WARNING 5 [file md_pull.mdp, line 65]:

Unknown left-hand 'pull_coord1_type' in parameter file

WARNING 6 [file md_pull.mdp, line 65]:

Unknown left-hand 'pull_coord1_geometry' in parameter file

WARNING 7 [file md_pull.mdp, line 65]:

Unknown left-hand 'pull_coord1_groups' in parameter file

WARNING 8 [file md_pull.mdp, line 65]:

Unknown left-hand 'pull_coord1_dim' in parameter file

WARNING 9 [file md_pull.mdp, line 65]:

Unknown left-hand 'pull_coord1_rate' in parameter file

WARNING 10 [file md_pull.mdp, line 65]:

Unknown left-hand 'pull_coord1_k' in parameter file

WARNING 11 [file md_pull.mdp, line 65]:

Unknown left-hand 'pull_coord1_start' in parameter file

I have checked my mdout.mdp as well , it is showing COM pulling = no

please help me with this issue .

Similar questions and discussions