VENKATESH HARIHARAN wrote:
Hello all,
I am pulling a 17 amino acid peptide under constraint pulling. Some details:
v = 0.01 nm/ps
dt = 0.002 ps
steps = 25
total time = 500 ps
My question is: When generating the water box for the simulation, I
understand that the edge of the box should
Hello all,
I am pulling a 17 amino acid peptide under constraint pulling. Some details:
v = 0.01 nm/ps
dt = 0.002 ps
steps = 25
total time = 500 ps
My question is: When generating the water box for the simulation, I understand
that the edge of the box should be greater than half the cutoff
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