[gmx-users] bug energy - continuity md

Mark Abraham Mark.Abraham at anu.edu.au
Thu Nov 1 01:45:14 CET 2007

Ricardo Gobato wrote:
> In middle on molecular danimics have one bug power energy, have one exit 
> the file traj.trr
> For continuity md with file traj.trr, write the comand 

1. Don't claim a bug unless you actually have one - i.e. have at least a 
reproducible test case, and preferably code patch to fix it. Claiming 
bugs annoys the people who've worked hard on the software, who mostly 
read this list, and are very good about actively supporting their 
software. Annoying them is counter-productive for you.

2. Use a spell-checker... if you want people to spend their valuable 
time helping you, then you should make it easy for them to help you, by 
writing in at least correctly-spelled English. Then, proof-read before 
you send the email. I appreciate that English probably isn't your first 
language, but your first "sentence" isn't even close.

3. Try to find your own answers by reading documentation. You'll learn 
to be better at avoiding problems that way. Both the GROMACS manual and 
wiki tell you the information you're looking for.

4. Even if they wanted to help you, nobody can tell you the command you 
need to use, since it depends on a whole host of things you've not told 
us. :-) What you can do is read this page 
http://wiki.gromacs.org/index.php/Doing_Restarts and work it out for 

5. "Please" is a good word to use when you're asking for free help. :-)



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