Dear Amber users,
I have used the following input file for 20 ns production run. The output
file indicates that run is complete without any errors. However, when I
load mdcrd file of production run in VMD, only 1367 frames were loaded and
I was expecting 4000 frames. Following is my input file for production run,
kindly suggest possible solution for this problem.
Production
&cntrl
imin=0,
ntx=5,
irest=1,
nstlim=10000000,
dt=0.001,
ntf=2,
ntc=2,
temp0=300.0,
ntpr=2500,
ntwx=2500,
ntwr=2500,
cut=8.0,
ntb=2,
ntp=1,
ntt=3,
gamma_ln=2.0,
/
Thanks & Regards
Sneha Rai
Ph.D. Research Scholar
Computational and Structural Biology Lab
Division of Biotechnology
NSIT
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Received on Thu May 12 2016 - 01:30:04 PDT
