From: Boyang Wang (pkuwangboyang_at_gmail.com)
Date: Thu Feb 02 2012 - 23:31:28 CST
Hi Charbel,
I think PBC is necessary, but keep in mind that calculations will be much
slower.
Best,
Boyang
On Thu, Feb 2, 2012 at 8:37 PM, R. Charbel Maroun
<charbel.maroun_at_inserm.fr>wrote:
> Hello,
>
> When we do energy minimization with NAMD of a protein-membrane system,
> do we have to give PBC in the script, just like for a
> molecular dynamics calculation or is this implicitely taken into
> consideration? If not, that means that the protein-membrane system is
> in vacuum and could become unstable during minimization.
>
> Greetings,
>
> C Maroun
>
>
>
>
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-- Boyang Wang, Ph.D.
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