[gmx-users] energy group tables

[Humberto Saint-Martin]

Hi, Chandan,

Within the *.mdp file you have to write the pairs without hyphens. Following
your example, if you 
specify

energygrps = A B C

then the tables should be declared as folows:

energygrp_table = A A A B A C B C C C

Needless to say, the corresponding tables should be present in the
directory:

table_A_A.xvg
table_A_B.xvg
table_A_C.xvg
table_B_C.xvg
table_C_C.xvg

Hopefully this helps.

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