From: gurunath katagi (gurukatagi_at_gmail.com)
Date: Tue Jan 20 2009 - 08:25:06 CST
i am new to the namd.
i have performed the equilibriation of a protein molecule in a water box
for 5ps. and now that i want to perform molecular dynamics simulations to
observe the dynamics of the protein in the same condition for 5ps(after
what will be the step or what parameters have to be manipulated in the
configuaration file of equilinriation. and is it possible to combine these
two thins in a single configuartion file ( i.e equlibriation followed by
dynamics) and how?
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