Hi, I am trying to simulate POPC in water in 300 K, using charmm36 FF. In order to reach appropriate area per lipid ( 63-65 Angestroms per headgroup as mentioned in articles ), I let the system to be simulated for 40 seconds. To do so, I checked the area per lipid every 10 ns. The results of area per lipid in each step are as below:
1. Top leaflet: 60.44 Bottom leaflet: 59.43 2. Top leaflet: 61.135 Bottom leaflet: 60.11 3. Top leaflet: 61.40 Bottom leaflet: 60.38 4. Top leaflet: 60.27 Bottom leaflet: 59.27 I expected it to approaches the expected amount steadily, but why did I get such a result? How can I get to the appropriate area per lipid? Would you please give me suggestions? Any suggestions would be appreciated. Thanks in advance. Sincerely, Shima -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * 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-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
