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

Justin Lemkul jalemkul at vt.edu
Thu Jan 10 01:20:10 CET 2013

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.


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 A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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