[gmx-users] I can't figure out what is wrong with my .gro

Xu Dong Huang xudongh at eden.rutgers.edu
Thu Jan 10 01:22:11 CET 2013


@ Justin,

I laughed. :) Thank you. I can't believe I miss the smallest and most rudimentary things. 
Thanks again,
Xu Dong Huang
Chemical & Biochemical Engineering
Rutgers School of Engineering 
xudongh at eden.rutgers.edu 

On Jan 9, 2013, at 7:20 PM, Justin Lemkul <jalemkul at vt.edu> wrote:

> 
> 
> On 1/9/13 7:16 PM, Xu Dong Huang wrote:
>> @ Justin,
>> 
>> Thanks for always saving me from my mistakes. But I don't quite understand what is a new line character?
>> 
> 
> The thing you get when you press enter.
> 
> http://en.wikipedia.org/wiki/Newline#In_programming_languages
> 
> Note that Google has plenty more to say ;)
> 
> There should not be a blank line at the end of the .gro file, though, but to be correctly parsed by VMD, the line must terminate with a '\n' character.  So at the end of your box vector line, hit return then backspace.
> 
> -Justin
> 
> -- 
> ========================================
> 
> Justin A. Lemkul, Ph.D.
> Research Scientist
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
> 
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