[gmx-users] specbond # bonds

Grange Hermitage ghermitage at y7mail.com
Sun Jun 29 15:07:53 CEST 2008


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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