[gmx-users] problem in running grompp

[Justin A. Lemkul]

Samik Bhattacharya wrote:

>     Thank you Justin for the answar. but now how to solve it? where
>     should i make changes to correct that? pls let me know what to do...
>     waiting for your answar....
>     Thank you again..

"CA" is not an alpha-carbon, it is a ffgmx atom type.  So, therefore, you have 
copies some ffgmx parameters into the ffG53a6nb_lipid.itp that the tutorial 
describes, probably from the ";; parameters for lipid-GROMOS interactions" which 
the tutorial clearly tells you to delete.

-Justin

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>     Justin A. Lemkul
>     Ph.D. Candidate
>     ICTAS Doctoral Scholar
>     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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-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
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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