[gmx-users] g_enemat problem & suggestion

Jernej Zidar jernej.zidar at gmail.com
Fri Apr 12 05:31:21 CEST 2013


g_energy states all the groups missing by g_enemat are present in the
energy file:
45  Coul-SR:unit1-unit1                 46  LJ-SR:unit1-unit1

 47  Coul-14:unit1-unit1                 48  LJ-14:unit1-unit1

 49  Coul-SR:unit1-unit2                 50  LJ-SR:unit1-unit2

 51  Coul-14:unit1-unit2                 52  LJ-14:unit1-unit2

 53  Coul-SR:unit1-Water_CL_NA           54  LJ-SR:unit1-Water_CL_NA

 55  Coul-14:unit1-Water_CL_NA           56  LJ-14:unit1-Water_CL_NA

 57  Coul-SR:unit2-unit2                 58  LJ-SR:unit2-unit2

 59  Coul-14:unit2-unit2                 60  LJ-14:unit2-unit2

 61  Coul-SR:unit2-Water_CL_NA           62  LJ-SR:unit2-Water_CL_NA

 63  Coul-14:unit2-Water_CL_NA           64  LJ-14:unit2-Water_CL_NA

 65  Coul-SR:Water_CL_NA-Water_CL_NA     66  LJ-SR:Water_CL_NA-Water_CL_NA

 67  Coul-14:Water_CL_NA-Water_CL_NA     68  LJ-14:Water_CL_NA-Water_CL_NA


Thanks again,
Jernej



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