Dear all Amber user,
I have previously minimized the system that I currently work on and now I am trying to perform heating. The parameters are as below:
MD simulation heating the protein
&cntrl
imin=0, irest=1, ntx=5,
ntf=2, ntc=2, tol=0.0000001, ntb=2, igb=0,
ntt=3, temp0=300.0, gamma_ln=1.0
ntp=1, pres0=1.0, taup=1,
nstlim=20000, dt=0.002,
cut=8.0
ntpr=50, ntwr=500, ntwx=500, iwrap=1,
/
It stopped with this message --> FATAL: Could not read velocities from prot_min.rst
I would be very grateful if anyone could tell me what does this mean and how to make it work. Plus, any suggestion on how to check whether our output (.rst) is correct.
Thanks
Zalikha
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Received on Wed Aug 15 2012 - 02:30:03 PDT
