Hi,
It's Tanmoy here. You are quite right. Now is there any way that I can
use a box keeping
'IGB=1' ?
Please suggest...
Tanmoy
On Sat, Jul 20, 2013 at 10:37 AM, Carlos Simmerling <
carlos.simmerling.gmail.com> wrote:
> 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 Mon Jul 22 2013 - 21:30:02 PDT
