[gmx-users] trjconv -center -pbc whole ?!?

Dallas Warren dallas.warren at vcp.monash.edu.au
Fri Jan 30 00:16:01 CET 2004


>Did you check the coordinates with gmxdump or so? There's a bug in ngmx
>that shifts molecules when their coordinates are correct, so ngmx is not
>a good test...

I used trajconv on a .gro file of one of the frames to see what it did and 
checked the values in that.  It does handle gro and xtc files in the same 
manner?  I also do all my visualisation using VMD, so the bug in ngmx is 
not an issue.

Catch ya,

Dr. Dallas Warren
Research Fellow
Department of Pharmaceutical Biology and Pharmacology
Victorian College of Pharmacy, Monash University
381 Royal Parade, Parkville VIC 3010
dallas.warren at vcp.monash.edu.au
+61 3 9903 9083
When the only tool you own is a hammer, every problem begins to resemble a nail.

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