Re: [gmx-users] specbond # bonds

[Justin A. Lemkul]

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? 
CHUC3  2  CHVC4  2  0.2CHUCHV
 
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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[gmx-users] specbond # bonds

[Grange Hermitage]

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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