Sir
i have installed all the available bugfixes.
i do explicit simulations on nucleic acids and proteins. But there is no
igb inputs specified in my simulation input files.
i hope there will not be any problem.(i dont know if it accounts the
default value of igb)
i also work with antechamber. hope there is no problem with antechamber,
mmpbsa and sander.
thank you sir for the reply
On Mon, Jan 21, 2013 at 10:55 PM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
> Hi,
>
> In addition to what Jason said, make sure you've also installed all of
> the available bugfixes:
>
> http://ambermd.org/bugfixes11.html
>
> I don't think any of them apply to gb, but it can't hurt.
>
> -Dan
>
> On Mon, Jan 21, 2013 at 10:14 AM, Jason Swails <jason.swails.gmail.com>
> wrote:
> > The tests with small differences are fine -- e.g., the diff is 0.01 or
> > something like that. The ones with larger differences (namely, the igb=7
> > test) is cause for worry, so you should be careful if you wish to use
> that
> > functionality.
> >
> > HTH,
> > Jason
> >
> > On Mon, Jan 21, 2013 at 5:28 AM, Mary Varughese <maryvj1985.gmail.com
> >wrote:
> >
> >> Sir,
> >>
> >> I have tried to install amber11 and run the tests in parallel in the
> test
> >> suite of amber11/test/. the files generated are attached along. Would
> you
> >> please help me to analyze the log files for any significant errors that
> >> need to be corrected? I used only two processors of the same
> system.(dual
> >> core processor) using the command
> >> cd $AMBERHOME/test/
> >> export DO_PARALLEL='mpirun -np 4'
> >> make test.parallel
> >>
> >> Thank you Sir.
> >>
> >> --
> >> Mary Varughese
> >> Research Scholar
> >> School of Pure and Applied Physics
> >> Mahatma Gandhi University
> >> India
> >>
> >> _______________________________________________
> >> AMBER mailing list
> >> AMBER.ambermd.org
> >> http://lists.ambermd.org/mailman/listinfo/amber
> >>
> >>
> >
> >
> > --
> > Jason M. Swails
> > Quantum Theory Project,
> > University of Florida
> > Ph.D. Candidate
> > 352-392-4032
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
>
>
>
> --
> -------------------------
> Daniel R. Roe, PhD
> Department of Medicinal Chemistry
> University of Utah
> 30 South 2000 East, Room 201
> Salt Lake City, UT 84112-5820
> http://home.chpc.utah.edu/~cheatham/
> (801) 587-9652
> (801) 585-9119 (Fax)
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Mary Varughese
Research Scholar
School of Pure and Applied Physics
Mahatma Gandhi University
India
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Received on Wed Jan 30 2013 - 10:30:04 PST
