[gmx-users] polymer simulation

Dallas B. Warren Dallas.Warren at pharm.monash.edu.au
Fri May 21 02:17:03 CEST 2010


If you are referring to something that will generate a coordinate file
(.pdb or .gro) of polymer molecules randomly distributed, then there is
not currently a script with GROMACS that will do that job.  If you have
a single molecule, there are a couple of tools that can randomly spread
those molecules around, though not very well.

Catch ya,

Dr. Dallas Warren
Drug Delivery, Disposition and Dynamics
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3010
dallas.warren at 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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