Dear Folks,
I am new to posting here. In any case, I wanted to set initial trajectories
for two large macromolecules. Basically I am using gromacs for several things,
on would be simple energy calculations. For this I wanted to take to proteins,
or protein and larger ligands and set an initial trajactory for these in the
solvent so that they collide in a specific way based on Docking, other things
etc...as a quick and dirty type run.
Does anyone have a really simple protocol,
such as a) input output
b) input output, etc...
I have read several things in the manual that state this is possible, but I
wanted to avoid a day of trying to get it to work, and just get it to work
quickly.
Grüsse
Stephan Watkins
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