My bad since new feature to me.
What if you try the x or y axis, and see if the resulting axis implies
anything?
On 3/21/19 11:43 PM, Ashutosh Mishra wrote:
> Production
> &cntrl
> imin = 0,
> nmropt = 0,
> ntx = 5,
> irest = 1,
> ntxo = 2,
> ntpr=500, ntwx=500, ntwe=500, ntwr=500,
> ioutfm = 1,
> ntf=2, ntb=1,
> ntave=1000,
> ntr = 1,
> nstlim = 2000000,
> dt = 0.001,
> ntt = 1,
> tempi = 300, temp0 = 300,
> tautp=0.5,
> cut = 9.0,
> ntp = 0,
> pres0 = 1.0,
> ntc = 2,
> efz = 5.1085
>
>
> This is the input file I used. To apply the electric field I used the
> command "efz = 5.1085".
>
> On Fri, Mar 22, 2019 at 12:11 PM Bill Ross <ross.cgl.ucsf.edu> wrote:
>
>> How did you apply the field? Can you show input, or code if added?
>>
>> Bill
>>
>> On 3/21/19 11:26 PM, Ashutosh Mishra wrote:
>>> I doing a simulation using AMBER18. In that simulation I had applied an
>>> electric field along z direction, but strangely when I analyze the
>>> trajectory I find that the dipole moment is aligning along y direction.
>>> This is what my input file looks like.
>>>
>>> Production
>>> &cntrl
>>> imin = 0,
>>> nmropt = 0,
>>> ntx = 5,
>>> irest = 1,
>>> ntxo = 2,
>>> ntpr=500, ntwx=500, ntwe=500, ntwr=500,
>>> ioutfm = 1,
>>> ntf=2, ntb=1,
>>> ntave=1000,
>>> ntr = 1,
>>> nstlim = 2000000,
>>> dt = 0.001,
>>> ntt = 1,
>>> tempi = 300, temp0 = 300,
>>> tautp=0.5,
>>> cut = 9.0,
>>> ntp = 0,
>>> pres0 = 1.0,
>>> ntc = 2,
>>> efz = 5.1085,
>>>
>>> can you suggest me what may be wrong in this simulation.
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>>> AMBER mailing list
>>> AMBER.ambermd.org
>>> http://lists.ambermd.org/mailman/listinfo/amber
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>>
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Received on Fri Mar 22 2019 - 00:00:05 PDT
