Hi,
the bugfix is applied.
My simulation aborted at N=69.
2012/6/22 Daniel Roe <daniel.r.roe.gmail.com>
> Hi,
>
> On Fri, Jun 22, 2012 at 9:11 AM, Elisa Frezza <elisa.frezza.gmail.com>
> wrote:
> > I do not run the calculation in my computer, but in a supercomputing
> > centre, so I have to ask to them if they applied all bugfixes.
> > I tried to do the same calculation without gpu and it seems to run.
>
> That makes me suspect that bugfix 12 for Amber11 was not applied:
> http://ambermd.org/bugfixes11.html
>
> --
> -------------------------
> Daniel R. Roe, PhD
> Lab Specialist
> 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)
>
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>
--
Elisa Frezza
Ph.D. Student in Materials Science and Engineering
Dipartimento di Scienze Chimiche
Università di Padova
via Marzolo, 1
35131 Padova - Italy
Phone: +39 049 827 5149
Skype: elisa.frezza
Emai: elisa.frezza.gmail.com
elisa.frezza.studenti.unipd.it
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Received on Fri Jun 22 2012 - 07:00:03 PDT
