[gmx-users] Tabulated potential

Arnab Senapati arnab at chemeng.iisc.ernet.in
Wed May 7 07:33:53 CEST 2008


Hi,
   I want to do a simulation with tabulated VDW potential. Can anyone
please tell me what should be the final limit of 'r'. In the manual it
is written as rc + 1.0. Say if my 'rc' is 4.29 nm. And interval is
0.002nm . Then what should be my limit.

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