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

[Xu Dong Huang]

@Justin,

I did what you suggested, and I still can't load my molecule in VMD. Maybe I am still doing something wrong with the new line character thing. 


Xu Dong Huang
Chemical & Biochemical Engineering
Rutgers School of Engineering 
xudongh at eden.rutgers.edu 

On Jan 9, 2013, at 7:22 PM, Xu Dong Huang <xudongh at eden.rutgers.edu> wrote:

> @ 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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