[gmx-users] Carbon tetrachloride

[Justin A. Lemkul]

avinash kumar wrote:
> Hello all,
> 
> Does anybody have a .gro and .pdb containing carbon tetrachloride? I am 
> having problems generating the .pdb
> as the conversion to gro is not taking place correctly?
> 

If you can describe what you are actually doing (i.e., commands you are issuing, 
etc), then you might get some useful advice.  It sounds like you are trying to 
generate both a .gro and a .pdb, which is unnecessary (you only need one).  If 
you don't have any structure file, you could (for example) draw it with PRODRG 
(or some other molecule-drawing software) and generate the coordinate file that way.

-Justin

> Thank you
> 
> -- 
> Avinash Kumar.
> 
> 
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-- 
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Justin A. Lemkul
Graduate Research Assistant
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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