[gmx-users] question about xvg file

Tsjerk Wassenaar tsjerkw at gmail.com
Fri Apr 11 18:25:03 CEST 2014


Apologies... should be

awk '!($1%16)' file.xvg

Cheers,

Tsjerk
On Apr 11, 2014 6:13 PM, "Tsjerk Wassenaar" <tsjerkw at gmail.com> wrote:

> Hi Andrew,
>
> Something like:
>
> awk '!$1%16' file.xvg
>
> Cheers,
>
> Tsjerk
> On Apr 11, 2014 5:46 PM, "Andrew Bostick" <andrew.bostick1 at gmail.com>
> wrote:
>
>> Dear gromacs users
>>
>>
>> I did a MD simulation 1 years ago. Now, I have a dist.xvg file and I have
>> not trajectory file (xtc).
>>
>> Time column in dist.xvg file is as follows:
>>
>> 0
>> 4
>> 8
>> 12
>> 16
>> .
>> .
>> .
>> .
>> 24984
>> 24988
>> 24992
>> 24996
>> 25000
>>
>> I want to have this column as follows:
>>
>> 0
>> 16
>> 32
>> 64
>> .
>> .
>> .
>> .
>> 24936
>> 24952
>> 24968
>> 24984
>> 25000
>>
>> I know If I had xtc file, I could use trjconv -dt to do my interest.
>>
>> Now, I have not xtc file, how to do this state?
>>
>>
>> Any help will highly appreciated.
>> --
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