[gmx-users] problem in applying position restrain on protein

[nitu sharma]

Dear all,

I am encountering problem in applying position restrain on my protein which
is with lipid bilayer . Actually I want to do simulation of system
protein-lipid bilayer to pack lipid around the protein for this  I want to
keep my protein constant and lipid should move around this .I am doing this
by applying strong position restrain on protein  with force constant 100000.
But the restrain not working on protein.
I have included these lines in my topol_A.itp file and topol_B.itp file-
; Include position restrain file
#ifdef POSRES
#include "posre_A.itp"
#endif
 I have also included-

define              =  -DPOSRES in em.mdp file.
also edited posre.itp file with force constant 100000.

Even after doing these things the restrain not working on protein thats why
my protein structure being disturbed .

Can any one help me in solving this problem.

Thanks a lot in advance.


Nitu sharma
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20090428/ea4ef605/attachment.html>