On Thu, Apr 05, 2012, kanika sharma wrote:
>
> I used distance dependent dielectric constant flag to minimize a protein
> using the script in implicit solvent :
This was answered yesterday, snippet is below. If you are not receiving
mail from the reflector, you should check your email settings. Or you can go
to the archives of the mailing list at the Amber web site to see postings.
(Archives are generally a day or so behind "real time").
You can't use distance dependent dielectric *and* igb in the same run.
When you set igb=1, it selects a code path that never sees or uses the
eedmeth=5 option.
...dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Apr 05 2012 - 05:30:05 PDT
