[gmx-users] CCl4 parameters

[Justin A. Lemkul]

I'll repeat my earlier question:

What actually corresponds to line 25?  What would the manual indicate about the 
contents of such a line?

That is for you to tell us, so we don't have to sort through your topology.  You 
have everything intact, including line spacing (which doesn't necessarily 
translate through email).

If you can provide the exact line, what it contains, and which section of the 
topology of which it is a component (pairs, angles, dihedrals, etc) then maybe 
someone can provide useful advice.

If you want free help, make it easy for us to help you.

-Justin

Hongyan Xiao wrote:
> Hi, Justin,
>  
> This is my CCl4.top file.
>  
> ;
> ;       File 'ccl4.top' was generated
> ;       By user: onbekend (0)
> ;       On host: onbekend
> ;       At date: Thu Oct  9 08:18:55 2008
> ;
> ;       This is your topology file
> ;       "God is a DJ" (Faithless)
> ;
> ; Include forcefield parameters
> #include "ffG53a6.itp"
> #include "ccl4.itp"
> 
> ; Include generic topology for ions
> #include "ions.itp"
> [ system ]
> ; Name
> Pure CL4
> [ molecules ]
> ; Compound        #mols
> CL4                169
> ~
> 
>  What does it lose? Please give me further suggestion. Thanks again.
>  
> H. Y. Xiao
> 
> 
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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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