[gmx-users] Re: trr file format
chaban at univer.kharkov.ua
Mon Sep 8 11:24:16 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.
Thank you very much. Initially I supposed to write my trajectory
analysis programme not in C (and thereby wanted to read trajectory
from my programme) but after your suggestion and looking into
the deeply hidden functions in gromacs I comply to code it in C using the
already existing tools. :)
Vitaly V. Chaban
School of Chemistry
National University of Kharkiv
Svoboda sq.,4, Kharkiv 61077, Ukraine
email: chaban at univer.kharkov.ua
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