From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Fri Feb 10 2006 - 11:57:53 CST
this should not be a problem, in principle. Could you please send me a
sample input file that causes the error?
Yu Wang wrote:
> Dear NAMD expert,
> I have some questions about pairInteractionSelf.
> I have no problem with calculating the pair interaction with 2 groups.
> But, when I tried to compute the energy within a group instead of
> between 2 groups by setting the "pairInteractionSelf" option on, I
> always got:
> FATAL ERROR: Bad global exclusion count!
> Is there any specific option that I should setup in the .conf to make
> it works?
> (ex. pairInteraction off)
> Thanks in advance!
> Best Regards,
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