Re: NAMD 2.11 released

From: Francesco Pietra (chiendarret_at_gmail.com)
Date: Thu Dec 24 2015 - 01:22:37 CST

Still someone using microsoft for scientific work?

On Thu, Dec 24, 2015 at 2:38 AM, Jeff Comer <jeffcomer_at_gmail.com> wrote:

> LOL
>
> On Wednesday, December 23, 2015, Jim Phillips <jim_at_ks.uiuc.edu> wrote:
>
>>
>> A Win32 binary now appears in the download list. It's a Festivus miracle!
>>
>> Jim
>>
>>
>> On Tue, 22 Dec 2015, Branko wrote:
>>
>> Jim,
>>>
>>> Thank you for announce. Since 2.10 versions all win binaries are for 64
>>> bit machines. Sorry if question is not so clever, but is it possible that
>>> (win) 32bit version appear among version offered for download. I know that
>>> 32bit operative systems are outdated, still there are some users which like
>>> XP and similar systems, and, as a rule, all calculation prepared for Linux
>>> clusters initially 'try' on desktops. Thanks
>>>
>>> Branko
>>>
>>>
>>>
>>> On 12/22/2015 5:38 PM, Jim Phillips wrote:
>>>
>>>> Dear NAMD users,
>>>>
>>>> NAMD 2.11 is officially released and available for download.
>>>>
>>>> This release fixes a bug that resulted in incorrect VDW tail correction
>>>> values for systems larger than about 11,000 atoms due to an integer
>>>> overflow. This feature is off by default, and the magnitude of the
>>>> incorrect energy and pressure correction factor was always smaller than the
>>>> correct value and declined with increasing system size. Again, this bug
>>>> only affected simulations with LJcorrection explicitly enabled.
>>>>
>>>> Thank you all for your efforts and support!
>>>>
>>>> Jim
>>>>
>>>>
>>>> +--------------------------------------------------------------------+
>>>> | |
>>>> | NAMD 2.11 Release Announcement |
>>>> | |
>>>> +--------------------------------------------------------------------+
>>>>
>>>> December 22, 2015
>>>>
>>>> The Theoretical and Computational Biophysics Group at the University of
>>>> Illinois is proud to announce the public release of a new version of
>>>> NAMD, a parallel, object-oriented molecular dynamics code designed for
>>>> high-performance simulation of large biomolecular systems. NAMD is
>>>> distributed free of charge and includes source code. NAMD development
>>>> is supported by the NIH National Institute of General Medical Sciences--001a114b148214043105279fb4ea--

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