xianghong qi wrote:
Hello, all:
I checked the mailing list. Looks like g_energy can calculate density vs
time, but
my g_energy doesn't have options like density, volume? I am wondering
how I can
get my density vs time graph? Any suggestion is appreciated. Thanks.
Look more closely. Both versions of Gromacs that I am currently using (3.3.3
and 4.0) have options for Density, Volume, and Box vectors as output from g_energy.
-Justin
-Xianghong Qi
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Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
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