[gmx-users] InflateGro methodology

[Peter C. Lai]

Why don't you just try it and see what happens?

On 2012-09-23 12:19:20AM -0700, Shima Arasteh wrote:
> 
> 
> Dear users,
> 
> I wanna pack the lipids around my protein. To do so, InflateGro methodology is applied. Following Justin's tutorial KALP15-DPPC, the first step is scaling up 4 times:
> # perl inflategro.pl system.gro 4 POPC 14 system-inflated.gro 5 area.dat
> and then shrinking it for 26 times. 
> 
> I'd like to know if it is possible to scale up 6 times or more and then scale it down for around 30 times? Because when I scale up 4 times, I see 2,3 lipid chains are still in contact with the protein (I am not sure if this would be a major problem or not!) . 
> 
> 
> Would you please advise me?
> 
> Thanks in advance. 
> 
> Sincerely,
> Shima
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Peter C. Lai			| University of Alabama-Birmingham
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