From: Cameron Mura (cmura_at_mccammon.ucsd.edu)
Date: Thu Mar 31 2005 - 20:31:42 CST
Hi,
Am I mistaken in my understanding that one cannot specify a coordinate
file in binary format as the reference structure for harmonic
constraints in NAMD? What I mean is this -- Say you do run-1 and it
outputs binary coordinates which you then want to serve as the starting
point -- and reference point ("consref" from pg. 53 of namd manual) --
for the restraints in run-2 (I really do mean constraints/restraints
here, not fixedAtoms). Then it's useless to have any binary output in
this type of scenario wherein one is doing successive rounds of
restraint-based minimization, right? Just wondering if I'm missing
something...
Thanks,
Cam.
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:39:17 CST