Hi,
I have been trying to do simulation with implicit solvent. Now the
problem that I have is when I am watching the movie in VMD , the molecules
in the system is jumping from one place to the other. Can we assign any box
dimension to the system with 'igb>0'? Here is the input file that I
have used.
production run for 10ns
&cntrl
imin=0,
irest=1,
ntx=5,
ntb=0,
igb=1,
ntc=2,ntf=2,
ntt=3,gamma_ln=1.0,
temp0=298.0,
nstlim=5000000,dt=0.002,
ntpr=100,ntwx=100,ntwr=50000,
cut=15
/
I am eagerly waiting for useful suggestions.
Thanks
Tanmoy
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Received on Fri Jul 19 2013 - 22:30:03 PDT
