[gmx-users] Justin-lipid tutorial...

[Justin A. Lemkul]

On 5/5/12 2:50 AM, rama david wrote:
> Hi Gromacs friends,
> I completed the justin lipid tutorials upto the  three steps ...
>
> While performing the tutorial of lipid written by justin ,
> I get following query..
>
> 1. As per the tutorials we added the
>      DPPC chain topology
>
> *; Include DPPC chain topology
> #include "dppc.itp"
> *
> dppc.itp file has following statement at the last ..
>
>
>
>
> #ifdef POSRES_LIPID
> #include "lipid_posre.itp"
> #endif
>
> where are these file located ????
> If these file are not present why we are  not get
> the any error ....
>

Lipid position restraints are only invoked in special cases and are not used in 
the workflow of the tutorial.  The use of lipid_posre.itp is described in the 
tutorial, however, at:

http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/membrane_protein/advanced_troubleshooting.html

You do not get an error about a missing file because the main tutorial does not 
have you invoke -DPOSRES_LIPID in any of the .mdp files.

-Justin

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
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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