[gmx-users] about .rtp

[Dallas Warren]

>      I am trying to define a building block for an abnormal residues ( a 
> small molecule  binds with a residue covalently). I inserted it in 
> ffG43a2.rtp. But i donot know how to determine the charge of atoms.

Search the emailing list, this very topic has been discussed in a fair 
amount of detail in the last month or so.

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