[gmx-users] Newbie question
Nataraj B (R&D-Biotech)
nataraj at orchidpharma.com
Thu Jan 5 13:21:56 CET 2006
I am a newbie to GROMACS , I am getting an error while trying to
prepare my protein for MD run at the stage of "grompp" as per the
GROMACS flow chart
The error reported in terminal is
Fatal error: number of coordinates in coordinate file (out.gro, 378)
does not match topology (topol.top, 0)
but I checked topol.top file , in which ,of course the coordinates are
differing between out.gro and topol.top, but the error report of 0 as
number of coordinate in topol.top is confusing me.
All the step before grompp, I used everything as default. More I used
spc216.gro (as given in the package) for solvation purpose.
Please let me know where could possibly I make the mistake.
More I will be more thankful if any one can provide me the step wise command
to make any protein of your interest for taking it up to setting a
Thanks in advance,
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