namd vs gromacs vs charmm vs amber

From: Dibyadeep Paul (
Date: Sun Jan 20 2008 - 04:43:41 CST


I am actually trying to simulate the interaction between a protein molecule
(1al1) and a (15,15) cnt. Since both my guide and me are new to this area,
we don't know which software would be ideal for our purpose. Although I have
been using vmd, and have started using namd too, I recently came to know
that namd was built specifically to simulate proteins, and not for generic
molecules. Since I am trying to simulate a cnt too, am I better off using
some other software, which might be better at simulating the same?



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