Thanks Mark. I was just avoiding recoding my long perl analysis script to
mdanalysis/pycpptraj format. Now I think there is no escape :)
J
On Fri, Jun 30, 2017 at 12:52 PM, Mark Abraham
wrote:
> Hi,
>
> I suggest using python projects like mdanalysis or cpptraj, which read xtc
> files, or usin
Hi,
I suggest using python projects like mdanalysis or cpptraj, which read xtc
files, or using the GROMACS C++ analysis tools template, rather than
wasting time writing your own code to read them. If you really must, then
you should wrap this library
http://www.gromacs.org/Developer_Zone/Programmi
Hi all,
I would like my perl script to analyse xtc trajectory file directly instead
of analysing human readable extracted frame files (pdb/gro etc.) to save
disk space. I could not find much on mailing list but there was a brief
reference about using Swig which I could not understand how to start
