[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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