It should not jump, but it can move around. That should be fine. Is there a
problem that you want to avoid by using a box?
On Jul 20, 2013 12:05 AM, "Tanmoy Paul" <tanmoy635.gmail.com> wrote:
> 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
