[gmx-users] table-potential, why table from r=0->r_c+1?

Thomas Schlesier schlesi at uni-mainz.de
Mon Jan 16 16:15:34 CET 2012


Dear all,
what is the reason, that the tabulated potential must go till r_c+1 (r_c 
= cut-off radius) and not only up to r_c?
I think we only calculate the interactions till r_c and truncate the 
rest. So everything behind r_c would be redundant information (due to 
the truncation it would be set to 0).
If this would be right, i could fill everything from r_c to r_c+1 with 
0's, but this sounds to easy.

Greetings
Thomas



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