Re: [gmx-users] very strange area/lipid value for POPC membrane system

2012-08-20 Thread Peter C. Lai
Also important to ask is: What was your APL *before* you inserted the protein? Was it realistic to begin with? If not, then start your problem solving there... On 2012-08-19 06:16:48PM +0200, Albert wrote: > Dear All: > > I am using GridMAT-MD to calculate the area/lipid for my POPC system. >

Re: [gmx-users] very strange area/lipid value for POPC membrane system

2012-08-19 Thread Justin Lemkul
On 8/19/12 2:32 PM, Albert wrote: hello Justin: thank you very much for kind reply. My protein is so large (300 aa and 7 transmembrane helix) and it will definitely affect the lipids property. In this case, how can we know that the forcefield is good enough for protein/lipids modeling e

Re: [gmx-users] very strange area/lipid value for POPC membrane system

2012-08-19 Thread Albert
hello Justin: thank you very much for kind reply. My protein is so large (300 aa and 7 transmembrane helix) and it will definitely affect the lipids property. In this case, how can we know that the forcefield is good enough for protein/lipids modeling even people did lots microsecond simu

Re: [gmx-users] very strange area/lipid value for POPC membrane system

2012-08-19 Thread Justin Lemkul
On 8/19/12 12:16 PM, Albert wrote: Dear All: I am using GridMAT-MD to calculate the area/lipid for my POPC system. The whole system was consist of a 300aa protein, 116 POPC and 0.15M NaCl. 1. I calculate the area/lipids by GridMAT-MD with the protein in it and I got a value: Ave APL = 54.

[gmx-users] very strange area/lipid value for POPC membrane system

2012-08-19 Thread Albert
Dear All: I am using GridMAT-MD to calculate the area/lipid for my POPC system. The whole system was consist of a 300aa protein, 116 POPC and 0.15M NaCl. 1. I calculate the area/lipids by GridMAT-MD with the protein in it and I got a value: Ave APL = 54.1013569676733 sq. Ang 2. I removed