[gmx-users] bilayer DMPC

[Mark Abraham]

ANINDITA GAYEN wrote:
> I have suffering from a problem with dmpc bilayer simulation at 300K 
> with oplsaa-berger combination that is showing area of 50nm2 after 1.5 
> ns from g_energy and g_traj. 

Is this the problem? If so, then you need to tell us what you're 
expecting and why. Is the number consistent with what you can observe 
visually? We don't read minds :-)

> I have used half-epsilon double pairlist 
> method. the itp and mdp files are attached with. However editconf again 
> showing the correct box vectors after 1.5 ns, that was 6.176 6.167 9.008
> the md.mdp file is
> title               =  bilayer MD DMPC PURE
> cpp                 =  /usr/bin/cpp
> define              =  -DMPCPOSRES

This line is probably not doing what you intended. See 
http://wiki.gromacs.org/index.php/grompp

Mark