Re: [gmx-users] calculate area per lipid and bilayer thickness versus time

2013-01-22 Thread Kieu Thu Nguyen
Thank Justin so much ! Sorry about my stupid question. I have looked the algorithm and i got it. On Tue, Jan 22, 2013 at 8:05 PM, Justin Lemkul wrote: > > > On 1/22/13 12:00 AM, Kieu Thu Nguyen wrote: > >> Thank Justin ! And i used GridMAT-MD as you advised. >> >> I got result "The average bila

Re: [gmx-users] calculate area per lipid and bilayer thickness versus time

2013-01-22 Thread Justin Lemkul
On 1/22/13 12:00 AM, Kieu Thu Nguyen wrote: Thank Justin ! And i used GridMAT-MD as you advised. I got result "The average bilayer "thickness" will be printed to 50x50_average_pbc.dat". But that result is only equal to a half of experiment result. I think "bilayer thickness" is equal to the su

Re: [gmx-users] calculate area per lipid and bilayer thickness versus time

2013-01-21 Thread Kieu Thu Nguyen
Thank Justin ! And i used GridMAT-MD as you advised. I got result "The average bilayer "thickness" will be printed to 50x50_average_pbc.dat". But that result is only equal to a half of experiment result. I think "bilayer thickness" is equal to the sum of "top leaflet thickness" and "bottom leaflet

Re: [gmx-users] calculate area per lipid and bilayer thickness versus time

2013-01-21 Thread Justin Lemkul
On 1/21/13 10:17 AM, Kieu Thu Nguyen wrote: Thank Justin ! That is APL. How about bilayer thickness ? I made density.xvg file of headgroup from using g_density. g_dist with index groups specifying however you want to define the boundaries for the membrane, or (shameless plug) a lateral proj

Re: [gmx-users] calculate area per lipid and bilayer thickness versus time

2013-01-21 Thread Kieu Thu Nguyen
Thank Justin ! That is APL. How about bilayer thickness ? I made density.xvg file of headgroup from using g_density. On Mon, Jan 21, 2013 at 7:31 PM, Justin Lemkul wrote: > > > On 1/21/13 5:12 AM, Kieu Thu Nguyen wrote: > >> Dear All, >> >> I want to know that my lipid bilayer is equilibrated o

Re: [gmx-users] calculate area per lipid and bilayer thickness versus time

2013-01-21 Thread Justin Lemkul
On 1/21/13 5:12 AM, Kieu Thu Nguyen wrote: Dear All, I want to know that my lipid bilayer is equilibrated or not yet. So i want to calculate the change of area per lipid and the bilayer thickness versus time. Which tool or method should i use ? Extract box vectors over time from the .edr f