dear amber users,
i want to change the parameter for H-Bond (10-12 potential ) in TIP3P water
model , but what i have seen in parm99.dat file that parameter for
H-Bond is all set to 0.00, rather every thing is calculated using 6-12
potential . So i have followign question
1. Will 6-12 potential will always take care of H-Bond , because H-Bond is
limited between O-H, N-H atoms and is limited for a fix distance ( hydrogen
bond distance ).
2. How can i play with the H-Bond in TIP3P water model or how can i play
with the no. of possible hydrogen bond in a box of TIP3P water
--
NAJMUL ARFIN
Research Scholar
SCHOOL OF PHYSICAL SCIENCES,
JAWAHARLAL NEHRU UNIVERSITY,
NEW DELHI -110067
+919910040525
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Received on Wed Nov 16 2011 - 08:30:04 PST
