[gmx-developers] Regd. Changing force calculation
araghuna at uiuc.edu
Wed Jun 25 18:38:11 CEST 2003
I'd like to know which function(s) to modify if I need to
use a separate force calculating(and potential) function of my
own at every timestep in GROMACS. Could anyone point out the
functions that are this particular force function call
dependent and which function I should modify?
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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