[gmx-users] Carbon Nanotube-Protein interaction

[Dallas B. Warren]

See section 5.6 of the manual, in particular 5.6.2  Basically, you have
two .itp files then you call them within the .top file using an include
command.

For solvation, doesn't matter what the topology is, solvation involves
simply adding water molecules to the coordinate file, .gro  So just take
the .gro file that contains both the nano tube and protein, then solvate
it using genbox as per usual.

Catch ya,

Dr. Dallas Warren
Lecturer
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 9524
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