[gmx-users] grompp line too long error

杨伟 20104227043 at suda.edu.cn
Thu Nov 24 12:04:07 CET 2011


Here is the detailed info about my setup:
System:64-bit Linux
GMX version:4.5.4
I know that windows and linux have different line end format and I didn't edit my text files using editor on windows,but all on linux.
My goal is to simulate membrane protein embeded in lipid bilayer,I don't have experience working with gromacs before,so I followed the tutorial recommended by the official gromacs website:
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/membrane_protein/index.html
I downloaded the files offered by the tutorial and proceeded and then encountered some problems.
As there is no lipid molecular defenition in gromacs,the tutorial refered me to this link:
http://moose.bio.ucalgary.ca/index.php?page=Structures_and_Topologies
to download the so called "Berger lipids",I did exactly what the tutorial instucted.
When I called pdb2gmx,I found the nomenclature of atoms in "Berger lipids" is not consistent with that of the gromos53a6 forcefield.
I abandoned "Berger lipids" because I found the DPPC lipid model offered by Oxford lipidbook is consistent with gromos53a6 forcefield,then pdb2gmx worked.You can find the lipidbook here:
http://lipidbook.bioch.ox.ac.uk/package/show/id/14.html
After generating the .gro file,I called grompp to generate the .tpr file,and then,grompp throwed the very error message in my original mail.I didn't modify the files generated by the programs I called.
In order to re-generate the error message, I zipped the forcefield files I used, you can find it here:
http://ishare.iask.sina.com.cn/f/21401866.html?w='%20target='_blank'
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