[gmx-users] Mixed solvents

Dallas B. Warren Dallas.Warren at vcp.monash.edu.au
Thu Dec 15 00:46:07 CET 2005

> The problem is 
> that during the minimization the Taurines are exploding. It seems as 
> they are not kept toghether by their .itp topology included 
> in topol. top

Start by simulating a single taurine molecule by itself in vacuum.  Then
you can work out what it is unstable, what the problem is with the
topology etc.

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 9073
When the only tool you own is a hammer, every problem begins to resemble
a nail.

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