[gmx-users] Small molecule - CHARMM

Steven Neumann s.neumann08 at gmail.com
Thu Nov 3 11:26:39 CET 2011


Dear Gmx Users,

I have produced itp file using SwissParam - for CHARMM ff. As far as I know
using this topology is not a good idea and the charges of my atoms should
be parametrized. My question is how to do this? Will you suggest any
reading?

Regards,

Steven
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