[gmx-users] Reordering of a large GRO file - how
jernej.zidar at gmail.com
Thu Jan 10 10:50:17 CET 2013
I used editconf to replicate a small lipid bilayer patch, after
editing the topology file I'm able to simulate it. I have one small
I would like to use g_membed to add a large molecule into the water
section (SOL) but editconf operates in such a way that it just
replicates the initial system, thus my SOL section is not continuous
but is scattered all over the GRO file hence the command fails.
Is there a smart way to "reorder" so the SOL section would be
continuous*? How does GROMPP parse the GRO file?
The topology file now looks like this:
Thanks in advance,
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