Dear amber users,
I am running MD for DNA+protein, in one of my input I would like to use
igb=1, below is my input file. Could someone have a look at it at check if
its correct? I have never done Md for igb=1 before.
production
&cntrl
imin = 0, irest = 1, ntx = 7,
ntb = 0, ntp = 0,
taup = 2.0, igb = 1,
cut = 12, ntr = 0,
ntc = 2, ntf = 2,
tempi = 298.15, temp0 = 298.15,
ntt = 3, gamma_ln = 1.0,
nstlim = 250000, dt = 0.002,
ntpr = 200, ntwx = 200, ntwr = 200
/
Thank you
best regards
Urszula
-----------------------------------------
Ta wiadomość została wysłana z serwera Uniwersytetu Gdańskiego
http://www.ug.edu.pl/
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Received on Fri Apr 04 2014 - 04:00:02 PDT
