Dear Amber users,
the following is the information of md2:
imin = 0, irest = 1, ntx = 7,
ntb = 2, pres0 = 1.0, ntp = 1,
taup = 2.0,
cut = 9.0, ntr = 0,
ntc = 2, ntf = 2,
tempi = 303.0, temp0 = 303.0,
ntt = 3, gamma_ln = 1.0,
nstlim = 50000, dt = 0.001,
ntpr = 100, ntwx = 100, ntwr = 100
/
How can I calculate the number of snapshots for analyzing the hbonds with
ptraj?
trajin model_wat_md2.mdcrd 1 10000 1
is it mean:
1: Read in the trajectory file starting at 1 to 50000
10000: give me 10000 snapshots
1: consider each one
Thank you so much in advanceRegards,
Ehsan
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Received on Sun Sep 05 2010 - 11:00:03 PDT
