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AMBER Archive (2004)Subject: AMBER: pmemd speedup and interactions
From: Lubos Vrbka (shnek_at_tiscali.cz)
hi,
i just forgot to add my input file, in case it would be important...
# 1 ns const. press. md; shake
ntpr = 500, ntwr = 500, ntwx = 1000,
ntf = 2, ntb = 2,
nstlim = 1000000, dt = 0.001,
ntr = 0, ibelly = 0,
ntt = 1, temp0 = 200,
jfastw = 1, watnam = 'SPC',
nmropt = 0
btw, other things i can see with the binaries on some pentium3 or athlon
thanks,
-- Lubos _@_" ----------------------------------------------------------------------- The AMBER Mail Reflector To post, send mail to amber_at_scripps.edu To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu
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