Hi all,
I have a few questions about the terms used in the benchmark input file in
AMBER9..
I want to know what does ntx = 7 stands for (i couldn't find the value "7"
in NTX parameter ...only upto 6 have been mentioned ..
and then second question is lastist = 4000000, & lastrst = 5000000, stand
for what ...
I couldn't find these values in amber 9 manual..
The input file with a few modification is this:
FIX (active) full dynamics ( constraint dynamics: constant volume)
&cntrl
ntx = 7, irest = 1,
ntpr = 100, ntwx = 1000, ntwr = 1000,
ntf = 2, ntc = 2, tol = 0.000001,
cut = 8.0,
nstlim = 1000000, dt = 0.001,
nscm = 1000,
ntt = 1,
lastist = 4000000,
lastrst = 5000000,
/
Thanks..
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Received on Wed Apr 11 2007 - 06:07:19 PDT
