From: Leonardo Herrera (ldhz04_at_yahoo.com.mx)
Date: Thu Jun 03 2010 - 20:23:32 CDT
Hi namd user's
I have a problem with extraBonds comand. The problem is this
TCL: Minimizing for 25000 steps
PRESSURE: 0 0 0 0 0 0 0 0 0 0
GPRESSURE: 0 0 0 0 0 0 0 0 0 0
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL
TEMP POTENTIAL TOTAL3 TEMPAVG
ENERGY: 0 753130.6537 7165.1699 1612.5872 56.3760 -111871.4001 9660.0353 0.0000 0.0000 0.0000 659753.4220
0.0000 659753.4220 659753.4220 0.0000
OPENING EXTENDED SYSTEM TRAJECTORY FILE
MINIMIZER STARTING CONJUGATE GRADIENT ALGORITHM
LINE MINIMIZER REDUCING GRADIENT FROM nan TO nan
LINE MINIMIZER BRACKET: DX 0 0 DU 0 0 DUDX nan nan nan
MINIMIZER RESTARTING CONJUGATE GRADIENT ALGORITHM
LINE MINIMIZER REDUCING GRADIENT FROM nan TO nan
..
..
..
Can somebody explain to me what's happening?
I have installed namd 2.7b2 but I read that is necessary run whit cvs. What is cvs?
How can I run whit cvs?
I add my scripts
Thanks in advance
MenB Leonardo David Herrera Zúñiga POSGRADO EN QUÍMICA UAMI Biofisicoquímica Universidad Autonoma Metropolitana IztapalapaTel. +52 (55) 5804 4674 ldhz04_at_yahoo.com.mx
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