You can call the following whatever you want to: [ moleculetype ] ; Name nrexcl Protein 3
This would probably be more appropriate: [ moleculetype ] ; Name nrexcl Hexane 3 And this section, doesn't really matter what it says here either, this part is really for your own information: [ system ] ; Name Protein This would probably be more appropriate: [ system ] ; Name Single hexane molecule And finally this bit has too, of course, match with what moleculetype you have defined: [ molecules ] ; Compound #mols Protein 1 So if you did the above, you would change this to: [ molecules ] ; Compound #mols Hexane 1 Catch ya, Dr. Dallas Warren Drug Delivery, Disposition and Dynamics Monash Institute of Pharmaceutical Sciences, Monash University 381 Royal Parade, Parkville VIC 3010 dallas.war...@pharm.monash.edu.au +61 3 9903 9167 --------------------------------- When the only tool you own is a hammer, every problem begins to resemble a nail.
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