[gmx-developers] Free Format gro File

Jicun Li jerkwin at gmail.com
Tue Oct 2 00:28:53 CEST 2012

Thank you very much, Mirco. I will try to understand the code and modify it.


2012/10/1 Mirco Wahab <mirco.wahab at chemie.tu-freiberg.de>

> 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).
> M.
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