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lines changed Original file line number Diff line number Diff line change @@ -657,8 +657,8 @@ def print_stats(meGO_LJ):
657657\t - Sigma range is: [{ intrad_a_s_min_contacts :5.3f} :{ intrad_a_s_max_contacts :5.3f} ] [{ interm_a_s_min_contacts :5.3f} :{ interm_a_s_max_contacts :5.3f} ] nm
658658
659659\t - RELEVANT MDP PARAMETERS:
660- \t - Suggested rlist value: { 1.1 * 2.5 * max (meGO_LJ ['sigma' ].max (),0.5 ):4.2f} nm
661- \t - Suggested cut-off value: { 2.5 * max (meGO_LJ ['sigma' ].max (),0.5 ):4.2f} nm
660+ \t - Suggested rlist value: { 1.1 * 2.5 * max (meGO_LJ ['sigma' ].max (), 0.5 ):4.2f} nm
661+ \t - Suggested cut-off value: { 2.5 * max (meGO_LJ ['sigma' ].max (), 0.5 ):4.2f} nm
662662 """
663663 )
664664
@@ -873,7 +873,7 @@ def get_name(parameters):
873873 if parameters .egos == "mg" :
874874 name = f"{ parameters .system } _{ parameters .egos } "
875875 else :
876- name = f"{ parameters .system } _{ parameters .egos } _epsis_intra{ '-' .join (np .array (parameters .multi_epsilon , dtype = str )) } _{ parameters .inter_epsilon } "
876+ name = f"{ parameters .system } _{ parameters .egos } _epsis_intra{ '-' .join (np .array (parameters .multi_epsilon , dtype = str ))} _{ parameters .inter_epsilon } "
877877 return name
878878
879879
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