[gmx-users] problem with downloaded lipid bilayer

David van der Spoel spoel at xray.bmc.uu.se
Wed Mar 3 21:58:00 CET 2004

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 

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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