[gmx-users] Carbon tetrachloride

Justin A. Lemkul jalemkul at vt.edu
Sat Jan 24 16:37:20 CET 2009

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.


> Thank you
> -- 
> Avinash Kumar.
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Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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