[gmx-developers] Free Format gro File

Mirco Wahab mirco.wahab at chemie.tu-freiberg.de
Tue Oct 2 00:24:33 CEST 2012

Am 02.10.2012 00:11, schrieb Mark Abraham:
> On 2/10/2012 8:06 AM, Jicun Li wrote:
>> How can I modify the source code to support the free format gro file?
>> Thank you very much.
> You could do that, but what's the advantage?

Probably because in C/C++, you have to copy each data field
to a separate buffer in order to handle this data item correctly
and efficiently for yourself. This might even be a hard task
for a newbie, I'd think (and remember ...).

If you can trust the data to be white-space separated, this task
will become trivial (sscanf, istreams and friends).


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