On 2/26/16 4:47 PM, Gerald Monard wrote:
> Hi,
>
> Not against, but as a regular pymol user, I won't be able to load
> trajectories without converting back to text format...
>
> Gerald, who really needs to learn VMD someday...
no,no, The proper warning is Gerald, who will learn that netcdf saves
tons of time and disk space !
>
> On 02/26/2016 09:55 PM, Hai Nguyen wrote:
>> +100 for setting ioutfm=1. It's really pain to analyze and store text file.
>> Users tend to follow what developers suggest or set, so this is big favor
>> for them too.
>>
>> I am neutral about ntxo=2
>>
>> Hai
>>
>> On Friday, February 26, 2016, Ross Walker <ross.rosswalker.co.uk> wrote:
>>
>>> Hi All,
>>>
>>> We still have ioutfm=0 as default in git master for pmemd.
>>>
>>> Is there any reason we couldn't make ioutfm=1 the default for AMBER 16?
>>> This can give some real performance benefits, especially on systems shared
>>> filesystems.
>>>
>>> Secondary question - could we also make ntxo=2 default at the same time?
>>> (not as critical now ntwr = nstlim by default).
>>>
>>> All the best
>>> Ross
>>>
>>> /\
>>> \/
>>> |\oss Walker
>>>
>>> ---------------------------------------------------------
>>> | Associate Research Professor |
>>> | San Diego Supercomputer Center |
>>> | Adjunct Associate Professor |
>>> | Dept. of Chemistry and Biochemistry |
>>> | University of California San Diego |
>>> | NVIDIA Fellow |
>>> | http://www.rosswalker.co.uk | http://www.wmd-lab.org |
>>> | Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk <javascript:;> |
>>> ---------------------------------------------------------
>>>
>>> Note: Electronic Mail is not secure, has no guarantee of delivery, may not
>>> be read every day, and should not be used for urgent or sensitive issues.
>>>
>>>
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--
Dr. Adrian E. Roitberg
Professor.
Department of Chemistry
University of Florida
roitberg.ufl.edu
352-392-6972
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Received on Fri Feb 26 2016 - 14:00:04 PST
