From: Mihaela Drenscko (quo.physics_at_gmail.com)
Date: Wed Oct 23 2013 - 13:00:05 CDT
Hello,
I was running a simulation of water on graphite, where I used input
parameter file for bonds as follows:
BONDS
!V(bond) = Kb(b - b0)**2
!Kb: kcal/mole/A**2
!b0: A
!atom type Kb b0
HW OW 600.000 1.000
CG CG 225.000 1.530
And I got this error:
FATAL ERROR: BAD BOND FORMAT IN XPLOR PARAMETER FILE
LINE=*BONDS*
What is wrong with this format?
Thank you,
Mihaela
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