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Hi,<BR>
<BR>
I have a problem with Gromacs. I want to do MD simulations with my proteïn in a DPPC-membrane.<BR>
Therefore I followed Justin Lemkul's tutorial on membrane proteïn simulation. I just used a bigger<BR>
membrane (256 lipids instead of 128). I managed to correctly embed the proteïn in the bilayer,<BR>
I solvated it with genbox and then I want to add ions. But when I use grompp to get a .tpr<BR>
file for genion, Gromacs fives the following error:<BR>
<BR>
<EM>Program grompp, VERSION 4.0.7<BR>Source code file: ../../gromacs-4.0.7/src/kernel/grompp.c, line: 320</EM><BR>
<EM>Fatal error:<BR>No molecules were defined in the system<BR></EM><BR>
I did update my topology in the [ molecules ] section and checked it twice to see if it fits with<BR>
the .gro file. It is correct, so I don't know what the problem is. Before the solvation there was<BR>
no problem with grompp, so it must have something to do with the solvation? I hope someone<BR>
can help me.<BR>
<BR>
Thanks,<BR>
<BR>
Marysa van den Berg<BR> <br /><hr />Minder SPAM in de verbeterde <a href='http://mail.live.com' target='_new'>Windows Live Hotmail</a></body>
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