On 1/9/13 8:02 PM, Xu Dong Huang wrote:
Oh, you have an Additional line after vector size box…. I thought you said to
remove that blank line
There is no additional line. The last line in the file must be the box vectors.
-Justin
Xu Dong Huang
Chemical & Biochemical Engineering
Rutgers School of Engineering
xudo...@eden.rutgers.edu
On Jan 9, 2013, at 7:58 PM, Xu Dong Huang <xudo...@eden.rutgers.edu> wrote:
@Justin,
I did that, and it still says I have 103.
Xu Dong Huang
Chemical & Biochemical Engineering
Rutgers School of Engineering
xudo...@eden.rutgers.edu
On Jan 9, 2013, at 7:49 PM, Xu Dong Huang <xudo...@eden.rutgers.edu> wrote:
@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
xudo...@eden.rutgers.edu
On Jan 9, 2013, at 7:22 PM, Xu Dong Huang <xudo...@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
xudo...@eden.rutgers.edu
On Jan 9, 2013, at 7:20 PM, Justin Lemkul <jalem...@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
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Department of Biochemistry
Virginia Tech
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http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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Department of Biochemistry
Virginia Tech
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http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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