[gmx-users] InflateGro methodology
shima_arasteh2001 at yahoo.com
Sun Sep 23 09:19:20 CEST 2012
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.
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