From: sripad chandan (sripadchandan_at_gmail.com)
Date: Tue Oct 21 2008 - 05:30:12 CDT
After a fixed proteim minimization I want to extend it with a minimization
with fixed backbone.
so in restart conf file i have mentioned .restart.coor, .restart.vel, .xsc
should i have to specify *same* #PME (for full-system periodic
electrostatics) (i.e PMEGridSizeX, Y, Z) and # Constant Pressure Control
or these conditions will be read from above restart files.
thanks a lot.
-- Sripad Chandan Patnaik Research ssistant National Institute of Technology, Rourkela +91-9861668977
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