You shall append those three lines just under the definition of the
lipid molecule. You may paste your top file for us to comment.
Yang Ye
Farid Sa'adedin wrote:
Dear Users,
I have been trying to equilibrate a bilayer. I have been able to
restrain a bilayer in its own system using
#ifdef POSRES
#include "/home/tripos/lipid/dopc/minidopc/posre.itp"
#endif
in the topology file
define = -DPOSRES
in the steep, nvt and npt mdp files.
The problem occurs when I add water to the system and for some reason
when I just want to restrain the
the bilayer GROMACS doesn't recognise the posre.itp file even though
it becomes in the top.
#ifdef POSRES
#include "/home/tripos/lipid/dopc/minidopc/posre.itp" in water
#endif
This is the line I get when I run grompp:
cpp exit code: 256
cpp: too many input files
[tripos]dopc/minidopc$ Tried to execute: '/lib/cpp -I
-I/usr/local/share/gromacs/top -DPOSRES dopc.top > grompptByAm1'
So as a result it doesn't restrain the lipids in the simulation.
If anyone has any ideas on how to just restrain a lipids with water in
the system I would greatly appreciate them.
Yours sincerely,
Farid Sa'adedin--
Farid Sa'adedin
Membrane Biophysics Laboratory
Department of Veterinary Biomedical Sciences
College of Medicine & Veterinary Medicine
Royal (Dick) School of Veterinary Studies
University of Edinburgh
Summerhall
Edinburgh EH9 1QH
SCOTLAND
_______________________________________________
gmx-users mailing list [email protected]
http://www.gromacs.org/mailman/listinfo/gmx-users
Please don't post (un)subscribe requests to the list. Use the www
interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
_______________________________________________
gmx-users mailing list [email protected]
http://www.gromacs.org/mailman/listinfo/gmx-users
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
