[gmx-developers] Regd. short range interation code.
araghuna at uiuc.edu
Fri Aug 29 21:22:14 CEST 2003
Could anyone tell me if do_fnbf() (in src/gmxlib/fnbf.c , called from src/mdlib/force.c) is only to calculate LJ forces or includes the short range part of the electrostatic force calculations too.
If so, how do I turn off this short range electrostatic calculation part(in the code), if I plan to take care of it later in the code?
Anjan V. Raghunathan
Graduate Research Assistant
Computational Electronics Group
3213 Beckman Institute,
Univ. of Illinois at Urbana-Champaign.
E-mail:araghuna at uiuc.edu
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