[gmx-users] problem with downloaded lipid bilayer

[David van der Spoel]

On Wed, 3 Mar 2004, Carl-Johan Högberg wrote:

>Dear all.
>
>I have some problem with a dmpc-lipid bilayer downloaded from dr 
>Tielemans groups site. The file contains 128dmpc lipids and 3655water 
>molecules. I have managed to manually create a *.top file and together 
>with the downloded dppc128.pdb file created a *.tpr file from grompp. 
>When i start the simulation with mdrun i get the following error message:

most likely a topology issue. have you checked the energies before the 
crash?


-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assist. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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