From: Sascha Tayefeh (sascha_at_pc.chemie.tu-darmstadt.de)
Date: Wed Jun 29 2005 - 09:31:23 CDT
there have been quite a few postings to this topic here (see
"constraining center of mass...", Feb 17 2005, or "can i restrain the
center of molecule...", Apr 20 2004), which have remained unanswered.
Facing similar problems, I'd like to give it another try:
I've desperatly been trying to find a way adding planar restraints to a
membrane/protein simulation in order to avoid water molecules
penentating the membrane. In order to do so e.g. in Charmm, one would
use its so-called MMFP (Misc. Mean Field Potential) commands. What would
be the workaround in NAMD?
Further, I would like to prevent drift of the membrane during
production run by referring to the center of mass of the complete
membrane rather than restraining each of the membrane's atom. How to do
Last, I need to define a cylindrical potential function to prevent
drift of the protein. Any idea?
Thank you for any suggestions!
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