On 30/08/2011 11:52 PM, pawan raghav wrote:
g_lie calculates the deltaG= alpha(p - w) +
beta(p - w) equation. But when calculating DGbind
from g_lie it will ask for only one term at a time i.e. -Elj for
either p or w and -Eqq for either p or
w. My question is when using only p for -Elj
and
g_lie calculates the deltaG= alpha(p - w) + beta(p - w) equation. But when calculating DGbind from g_lie it will
ask for only one term at a time i.e. -Elj for either p or w and -Eqq for either p or w. My question is when
using only p for -Elj and Vl-s el>p for -Eqq, how the LJ and EL
terms calcul
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