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

Justin Lemkul jalemkul at vt.edu
Thu Jan 10 02:02:11 CET 2013

On 1/9/13 7:58 PM, Xu Dong Huang wrote:
> @Justin,
> I did that, and it still says I have 103.

I will send you a fixed file off-list so you can compare with what you've got. 
I don't know what text editor you're using, but I can produce a correct file 
using two different methods in vi.  It's very important to be using a plain text 
editor when manipulating any Gromacs file.



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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