I suggest consulting the wiki:
http://wiki.gromacs.org/index.php/specbond.dat
-Justin
Grange Hermitage wrote:
Hi,
does the following specbond.dat line build a double bond between the
two atoms?
CHU C3 2 CHV C4 2 0.2 CHU CHV
What would happen if the first number was 2 but the second number was 1 ?
Would two C4s need to be at the right distance away from the one C3?
Thanks,
Grange.
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========================================
Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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