Re: [AMBER] countless warnning

From: Ray Luo, Ph.D. <ray.luo.uci.edu> Date: Fri, 17 Jul 2015 11:34:13 -0700

--
Ray Luo, Ph.D.
Professor
Biochemistry, Molecular Biophysics, Chemical Physics,
Chemical and Biomedical Engineering
University of California, Irvine, CA 92697-3900
On Fri, Jul 17, 2015 at 8:17 AM, Albert <mailmd2011.gmail.com> wrote:
> Hello:
>
> I am using the following setup for MMPBSA.py calculation, but I got
> countless warnings:
>
> &pb
>     fillratio=4.0, istrng=0,
>     inp = 1,  radiopt = 0, indi = 2.0,
> /
>
>
> Warning: cavity_surften=0.0378 not recommended for inp=1, switching to
> inp=1 default value: 0.0050
> Warning: cavity_offset=-0.5692 not recommended for inp=1, switching to
> inp=1 default value: 0.000
> Warning: sprob=.557 not recommended for inp=1, switching to inp=1
> default value: 1.400
>
> I am just wondering can we safely ignore them?
>
> thx
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber