[gmx-users] energy group tables

[Humberto Saint-Martin]

The order is irrelevant, except that the tables should be consistent;
the way you wrote it:

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

implies 6 interactions, thus 6 tables:

table_A_A.xvg
table_B_B.xvg
table_C_C.xvg
table_A_B.xvg (NOT table_B_A.xvg)
table_A_C.xvg (NOT table_C_A.xvg)
table_B_C.xvg (NOT table_C_B.xvg)



--
View this message in context: http://gromacs.5086.x6.nabble.com/energy-group-tables-tp5012776p5012822.html
Sent from the GROMACS Users Forum mailing list archive at Nabble.com.