[gmx-users] Still model

Chi-cheng Chiu none0421 at gmail.com
Sat Apr 9 02:32:49 CEST 2011


Hi all,
I looked at source code in /src/mdlib/genborn.c and have two questions
regarding the Still implicit solvent model.

1.  in the function calc_gb_chainrule(), only Still model have extra factor
of 2 apply on dvda, which I don't know why.
2. in calc_gb_rad_still(), does dccf miss a factor of 2?  ( hope I did my
math correct....)
Thanks in advance!

Regard,

Chi-xheng
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