[gmx-users] Gromacs inquiries
Mark.Abraham at anu.edu.au
Wed Oct 26 04:54:53 CEST 2011
On 26/10/2011 1:46 PM, cuong nguyen wrote:
> Thanks a lot for useful software. I am trying to generate a box (4 4
> 4) with full hexanol molecules inside. I have used the instruction
> "genbox -ci hexanol.GRO -box 4 4 4 -o layer.gro -p hexanol.top",
> however it has not been successful.
Unfortunately we can't help if we don't know what is in your -ci box
(also, it's probably best not to use capitalized filename extensions),
or why you think the procedure was not successful. Please consider the
advice here http://www.gromacs.org/Support.
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