[gmx-users] adding of Phosphoryl oxgen

Dallas Warren dallas.warren at vcp.monash.edu.au
Wed Jun 23 00:33:46 CEST 2004

>   Hello gromacs users, How to add phosphoryl oxgen ( phosphor double 
> bonded to oxgen) atom type to ff???.atp file. Is there any rules for 
> naming or coding atom types or any suitable name or code given for the 
> new atom type while adding to ff???.atp. For example O is a code for 
> Carbonyl oxgen ( carbon double bonded to oxgen) in ffgmx.atp Kindly mail 
> me the solution. Many thanks in advance Regards

If you are using the forcefield internally, then it doesn't matter what you 
call the new atom type, it could be ZX, since it is just a label that isn't 
really that important for anything as long as you know what it 
represents.  Though to help make things a bit more logical, it would be a 
good to name it something like OP.

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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