From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Sun Feb 10 2013 - 16:05:16 CST
On Sun, Feb 10, 2013 at 10:58 PM, FX <fxcoudert_at_gmail.com> wrote:
> One final (I hope) question: is the list of bonds and dihedral required in the psf file, or can NAMD rebuild it itself? I ask because it could save me time to only write bonds and improper dihedrals.
i don't think so.
both psfgen and topotools should be able to build angles and dihedrals
from the bond topology.
-- Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0 International Centre for Theoretical Physics, Trieste. Italy.
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