Navratna Vajpai wrote:
Dear All ..
I have only recently started the GROMACS package. I want to run a MD
simulation in vacuum for 5 ns say. I have tried to edit the demo file
which comes with the GROMACS package. but Some how it give an error.
Which I am still unable to solve. I am atttaching the file under this.
Could any one please help me to move further.
I am able to generate the .gro file and am able to run the pdb2gmx.
OK at the moment you've done the analogue of calling the over-worked
free car mechanic and said "My car is broken, tell me what's wrong".
They are going to be much more likely to give you useful help if you
tell them what you were trying to do, how you were trying to do it, and
what the error was when you tried. Otherwise, they'll go and do
something more interesting and/or profitable. :-)
Mark
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