On 21/06/2011 2:51 PM, bharat gupta wrote:
ok now I am doing the things again and here is the result of output of
each command till adding ions. At the time of executing the command
grompp for reading em.mdp file for ions.tpr generation, I am getting
the following error:-
Fatal error:
Syntax error - File PTR.itp, line 7
Last line read:
'[ atomtypes ] '
Invalid order for directive atomtypes
For more information and tips for troubleshooting, please check the
GROMACS
website at http://www.gromacs.org/Documentation/Errors
-------------------------------------------------------
"Everything's formed from particles" (Van der Graaf Generator)
here's a list of output , I obtained till the step of adding ion ??
You haven't followed the steps of the tutorial well enough.
Specifically, you've edited a .top or .itp file in the wrong place.
Mark
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