From: Monika Kumari (Monika.Kumari_at_chemistry.iitd.ac.in)
Date: Tue Aug 23 2022 - 05:02:41 CDT
Thanks Dr. Giacomo, I'll try it.
On Mon, 22 Aug 2022 at 15:05, Giacomo Fiorin <giacomo.fiorin_at_gmail.com>
wrote:
> Hi Monika, please try the tclBC option.
>
> Giacomo
>
> On Thu, Aug 18, 2022 at 3:54 PM Monika Kumari <
> Monika.Kumari_at_chemistry.iitd.ac.in> wrote:
>
>> Dear all,
>> I am trying to maintain an ion concentration gradient in a lipid
>> membrane system. For this, I need to put an imaginary wall on one end of
>> the box (restricting only the ions not water) so that the ions don't
>> move to the other side via PBC. Also, the ions should move freely on one
>> side of the membrane except for the restriction to cross the barrier.
>> Can anyone suggest how to perform the simulation in NAMD?
>> Thank you.
>>
>> Best regards,
>> Monika
>>
>>
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