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...
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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--
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Received on Fri Feb 26 2016 - 14:00:03 PST
