[gmx-users] InflateGro methodology
Peter C. Lai
pcl at uab.edu
Sun Sep 23 09:22:30 CEST 2012
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.
> gmx-users mailing list gmx-users at gromacs.org
> * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> * Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
Peter C. Lai | University of Alabama-Birmingham
Programmer/Analyst | KAUL 752A
Genetics, Div. of Research | 705 South 20th Street
pcl at uab.edu | Birmingham AL 35294-4461
(205) 690-0808 |
More information about the gromacs.org_gmx-users