[gmx-users] Re: trr file format
chaban at univer.kharkov.ua
Mon Sep 8 11:49:00 CEST 2008
gurgo>> Vitaly Chaban wrote:
>>> Where can I read about the exact format of the TRR and XTC files. I
>>> mean the width and type of every field in the binary trajectory file.
>>> I see read_'next_frame(status,&fr)' function in 'template.c'. But
>>> where is this fuction defined?
>>> Sorry, I'm not an expert in C. :(
gurgo>> Make your life easier by just using the supplied functions to read the
gurgo>> files. Check any analysis program.
VC> Thank you very much. Initially I supposed to write my trajectory
VC> analysis programme not in C (and thereby wanted to read trajectory
VC> from my programme) but after your suggestion and looking into
VC> the deeply hidden functions in gromacs I comply to code it in C using the
VC> already existing tools. :)
However it seems to be very well if in the next version of the
tutorial the exact format of trajectory files is explicitly shown. It
will make life easier for many those who would like to compose their utilities not in
C but for example in some scripting languages, etc.
More information about the gromacs.org_gmx-users