On Sun, Jun 7, 2015 at 5:12 AM, Vishal Nemaysh <vishal.bioinfotech.gmail.com
> wrote:
> Dear Jason
>
> how can i convert the AMBER trajectory (.mdcrd) file in to the Gromacs
> trajectory (.trr) file. i have find a solution which is mention as we did
> this job by using VMD software. but its not converting the complete
> trajectory file such as we upload the 13GB trajectory file of AMBER
> *.mdcrd*
> and converted in to *.trr* it will convert just half (6.1GB) of them.
> please suggest me how can i resolve this problem.
>
>
Amber mdcrd files are ASCII trajectories, and as a result they are much
bigger than they have to be. Binary trajectory file formats, such as the
Amber NetCDF format and the Gromacs trr format, can store the same
information in far less space.
Don't look at the size of the files to determine how many frames were
converted. Look at how many frames are in each file. They should both be
the same.
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sun Jun 07 2015 - 09:30:03 PDT
