More than one person has asked me this type of question:
> I was wondering if you ever got an answer about the
> repel nonbonded energy function crashing on alphas.
> We have the same problem here. If you found a solution,
> could you let me know?
So I am posting Axel's response.
Dan Thiel
> Dan,
>> There is a problem on the alpha with repel. Please substitute
> the following lines in
> ENBREP:
>>> ...
> C
> C appropriately scale self-interactions
> IF (JND(1).EQ.I) THEN
> CNBIL(1)=CNBIL(1)/TWO
> CNBAL(1)=CNBAL(1)/TWO
> END IF
>>> Axel Brunger
