using the force to control the transition rate is probably not useful,
change the target value instead. it looks like this is what you are doing,
so I am not sure what you mean by it not working. is the rmsd value not what
you requested?
On Tue, Apr 28, 2009 at 11:23 AM, balaji nagarajan <balaji_sethu.hotmail.com
> wrote:
>
> Dear Amber ,
>
> Thank you
> Dr. Ccarlos Simmerling
> and Shaowen
>
> I have solved my problem , now the Tmd in explicit water in going
> good ,
>
> the problem is with the parameter file , it has been corrected
>
> i need another clariffication regarding the
> weighting option
>
> I gave a force and after some time the rmsd is not changing its going at a
> constant value
> if i give the greater force i can not view the transition clearly because
> it moves from one structure to the other in
> a rapid manner ,
>
> is there any option to change the weight after some time during the run
> like changing both force and the weighting option ,
> /
> &wt
> TYPE='TGTRMSD', istep1=1, istep2=1000000,
> value1 = 16.00, value2 = 8.00,
>
> /
> &wt
> TYPE='TGTRMSD', istep1=1000000, istep2=2000000,
> value1 = 8.00, value2 =1.00,
>
>
> /
>
> or is there any way to fix this problem .,
>
>
> balaji
> UOM
>
>
>
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Received on Wed May 20 2009 - 13:14:49 PDT
