Re: [gmx-users] Genbox center of box

2013-06-10 Thread Justin Lemkul



On 6/10/13 12:13 PM, Matt Bawn wrote:

I am beginning a simulation of my system following the lysozyme tutorial
but when I try to use genbox to solvate my system it asks me to provide the
coordinates of the center of the box. I have previously been successfully
able to enter the same commands without this prompt appearing from gromacs.
Can anyone let me know what I'm doing wrong please?



Can you please provide your exact sequence of commands (up to, and including, 
genbox) and the exact error message (copied and pasted from the terminal)? 
Which version of Gromacs are you using?


-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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[gmx-users] Genbox center of box

2013-06-10 Thread Matt Bawn
I am beginning a simulation of my system following the lysozyme tutorial
but when I try to use genbox to solvate my system it asks me to provide the
coordinates of the center of the box. I have previously been successfully
able to enter the same commands without this prompt appearing from gromacs.
Can anyone let me know what I'm doing wrong please?

Thanks,

-- 
Dr Matt Bawn
Research Associate
Brooklyn** College CUNY
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