[gmx-users] g_membed stops after only one iteration
mariagoranovic at gmail.com
Thu Aug 4 13:01:00 CEST 2011
I am trying to use g_membed to insert a protein into a bilayer. I made some
changes to the sample.mdp file downloaded from the authors' homepage. The
- reduced time step to 0.001 ps (instead of 0.002)
- changed constraints to hbonds instead of all-bonds.
g_membed runs fine, but stops only after one iteration after which the
protein is of course shrunk. The command used is:
echo 20 16 | g_membed -f membed.tpr -n membed.ndx -xyinit 0.1 -xyend 1.0
-nxy 1000 -maxwarn 10
I am wondering what is going on ?
Also, is there a way to parallelize g_membed?
Technical University of Denmark
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