Hello,
I am trying to run a 1ns simulation for a total of 10ns; however, when I
did the RMSD it showed a simulation of 50ns total. I am unsure at this
point of what I am doing wrong and am having a hard time understanding how
the output works. I have looked at the tutorials and the manuals but am
still confused. Below is the in file:
&cntrl
nstlim=1000000, dt=0.001, ntx=5, irest=1, ntpr=1000, ntwx=1000,
temp0=300.0, ntt=1, tautp=2.0, ig=-1,
ntb=1, ntp=0,
ntc=2, ntf=2,
cut=12.0, iwrap=1,
&end
EOF
Any explanation would be greatly appreciated.
Thank you for your time,
Nicole
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Received on Thu Dec 12 2013 - 08:30:02 PST
