[gmx-users] problem with position-restrained dynamics of a charged system

Mark Abraham Mark.Abraham at anu.edu.au
Tue May 22 15:33:55 CEST 2007

> Thank you very much for your attention :) I attached the needed gro and top files. 

In the world of MD, the large majority of the users are based on 
Unix/Linux systems, and these tend not to be able to deal with .rar 
files without installing new software. For that matter it's awkward on 
Windows too. If you wish to make life easy for the people who you want 
to give you free help, you should make it easy for them to read what 
you're giving them. That means using tar and gzip, or even just tar as 
"tar cfz archive.tgz file1 file2". All Unix systems can deal with this, 
and at least one the most common Windows archive utilities, Winzip, can 
also deal with it.

As far as your original problem goes, it is clear that you're not 
actually using the same .top file as you (think you) did earlier. Check 
your filestamps, do a diff, etc. If you edited it, did you close your 
#ifdef-#endif or [-] pairs?


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