Re: Temperature problem

From: Cesar Luis Avila (cavila_at_fbqf.unt.edu.ar)
Date: Tue Feb 13 2007 - 15:19:20 CST

Its because you are setting langevinTemp to 10. May be you shoud try
something like

langevin on
langevinDamping 10
langevinTemp 315
langevinHydrogen on

you should also follow Jerome's advice. I can see a lot of different
temp definitions on your config file.

Best,
Cesar

Jerome Henin escribió:
> Dear Ahlam,
> Take the NAMD manual, and make sure you understand what each parameter in your
> config file does. After that, if you still have a question, you are welcome
> to ask it on this list.
>
> Best,
> Jerome
>
>
> On Tuesday 13 February 2007 15:05, Al-Rawi, Ahlam wrote:
>
>> Dear NAMD user,
>> I am working on MD simulations of membrane channel. Now I am running
>> NVT with constrain on the backbone atoms of the pore (made with five
>> peptides)
>> I assign the temperature to be 310 K, The output average value of the
>> Temperature that I got is around 9 K. the conf file is attached, I need
>> your help.
>> Thanks
>> Ahlam
>>
>> -
>>
>
>

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