[gmx-users] further discussion on the mdrun -append function

chris.neale at utoronto.ca chris.neale at utoronto.ca
Fri Apr 6 07:07:06 CEST 2012

Dear Acoot:

You should be able to answer this one yourself. Moreover, you are  
doing yourself a disservice by relying on the mailing list to do your  
work for you because you will eventually need to learn how to find  
answers to these things on your own.

Please remember the following:

1. use a title that matches your question, starting a new thread if  
you have a new question

2. it may sound harsh, but questions like this one in which you have  
obviously not even tried to find the answer yourself for more than a  
couple of minutes tend to annoy the very people that you may want help  
from later on with other issues.

3. whenever you post, please show how you have tried to solve the  
problem yourself. You may find that in the process of writing such a  
question you end up solving the problem yourself.

4. read the manual.


-- original message --

Thanks for the detailed explaination.

Will you please explain the function of "-n index.ndx " in "grompp -f  
md.mdp -n index.ndx -p topol.top -c minimized.gro -o md-1ns.tpr" with  
some specific examples?



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