[gmx-users] g_h2order still makes problem
Dallas B. Warren
Dallas.Warren at vcp.monash.edu.au
Thu May 25 01:14:06 CEST 2006
> the g_h2order still makes problem, i divided the box
> into 1 slice but it told me there are 2405777 water in the slice
> while the system has only 2827 tip4p water molecules.
> and the mu and cos generated is tortured!
> can it be any mistakes from the index? my index
> file has only one group of the sequence OW HW1 HW2, the shell
> is not included.
Didn't David just reply yesterday and say that that number is a sum of
all terms over the entire trajectory being analysed? i.e. if you
analysis a single FRAME (not slice), then the number should correspond
to the number of waters in there.
Dr. Dallas Warren
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 9524
When the only tool you own is a hammer, every problem begins to resemble
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