From: Molecular Dynamics (moleculardynamics_at_yahoo.com)
Date: Sat Apr 16 2011 - 07:13:28 CDT
Dear namd users,
I generated a topology and a parameter file for md interface simulations according to the charm 19 force field format. And there are two different molecule types in my tpg and prm files. For one of the molecule types I didn’t add hydrogens ( united atom ) to the tpg and prm files, but for the other molecule type I add hydrogens to the tpg and prm files. Is it possible to run md simulations using these tpg and prm files ? Do I have some problems about the simulation ?
Thanks in advance
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