Re: [AMBER] Freezing atoms in space during a simulation

From: Gustavo Seabra <>
Date: Tue, 16 Jun 2015 17:38:19 -0300

On ter jun 16 2015 17:19:00 David A Case said:
> On Tue, Jun 16, 2015, Jonathan Gough wrote:
>> Is there a way to hold several atoms fixed during a simulation.
> See the "ibelly" option, section 18.6.4 in the 2015 Amber Reference Manual.

Notice that in “ibelly” you specify the atoms that will be allowed to move. You would need a mask that can select every atom in the system *but* the ones you want fixed. Depending on your system, it may be easier to just change the code directly.

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Received on Tue Jun 16 2015 - 14:00:03 PDT
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