[gmx-users] charge groups

Dallas Warren dallas.warren at vcp.monash.edu.au
Thu Feb 10 23:11:27 CET 2005

>max #atoms in a charge group : 203 > 32 !!!
>so far i cannot fix this problem. could you
>give some hint how to deal with ?

I recall reading on this list that the limit for the number of atoms in a 
charge group is 32, and that error seems to be saying you have 
203!  Solution is reduce the size of the charge group, chop it up into more 
standard units, which is typically only 2,3,4,5 from my experience.

Catch ya,

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 9083
When the only tool you own is a hammer, every problem begins to resemble a nail.
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