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
--
========================================
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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