From: Sebastian Stolzenberg (s.stolzenberg_at_gmail.com)
Date: Thu Apr 16 2009 - 19:11:53 CDT
Dear Jerome,
from a CMAP-equilibrated system, I have prepared a CMAP FEP initial
structure (psf/pdb), using my own CMAP-hybrid-topology definitions (for
GLU2GLUP).
In this regard, can "alchemify" handle CMAP? The reason I wanted to
double-check with you is that in your "alchemify" C code, I found
commands, writing out "PSF" as first line, regardless of whether the
first input psf line was "PSF" or "PSF CMAP".
Thanks for your help,
Sebastian
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