[gmx-users] question about xvg file

[Justin Lemkul]

On 4/11/14, 11:40 AM, Andrew Bostick 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?
>

This is a simple exercise in any scripting language you like (Perl, Python, etc) 
to just print out zero, then every fourth line.

-Justin

-- 
==================================================

Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

==================================================