The question is: why do you want yo do that?
Hai
> On Jan 26, 2017, at 10:10 AM, Elisa Pieri <elisa.pieri90.gmail.com> wrote:
>
> Thanks Kenneth,
>
> yes that's my question too. Being a big file, it could take days to load it
> 40000 times! My other plan would be to split it in smaller files, and then
> split them and so on..but this would be very annoying.
>
> Elisa
>
> On Thu, Jan 26, 2017 at 3:50 PM, Kenneth Huang <kennethneltharion.gmail.com>
> wrote:
>
>> Hi,
>>
>> The best way I've found to split by every frame is to loop it through a
>> shell script that ticks up after every frame, which at least automates the
>> process and saves you from having to making a trajin for every 40000
>> frames, so something like-
>>
>> firstframe=1
>> lastframe=40000
>>
>> while [ $firstframe -le $lastframe ]; do
>>
>> cat >analysis.ptraj<<EOF
>> parm *.prmtop
>> trajin *.nc $firstframe $firstframe 1
>> trajout snapshot_$firstframe.pdb
>> EOF
>>
>> let firstframe=firstframe+1
>>
>> done
>>
>> I'd also be curious if there's a faster way that doesn't require reloading
>> the trajectory every single time, though.
>>
>> Best,
>>
>> Kenneth
>>
>> On Thu, Jan 26, 2017 at 9:35 AM, Elisa Pieri <elisa.pieri90.gmail.com>
>> wrote:
>>
>>> Hello,
>>>
>>> how can I split a .nc file into single frames? My nc file has 40000
>> frames
>>> and is 4.2 Gb, I think that using a strategy like "trajin mdcrd 1 4000 1
>> ;
>>> trajout mdcrd_chunk_" would be reeeeeally long. Anything faster?
>>>
>>> Thanks!
>>> Elisa
>>> _______________________________________________
>>> AMBER mailing list
>>> AMBER.ambermd.org
>>> http://lists.ambermd.org/mailman/listinfo/amber
>>>
>>
>>
>>
>> --
>> Ask yourselves, all of you, what power would hell have if those imprisoned
>> here could not dream of heaven?
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Jan 26 2017 - 07:30:03 PST
