[gmx-users] the radius of dry core
Dear Dr. Warren, Thank you very much from your help. Best Regards Dina -- gmx-users mailing listgmx-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
RE: [gmx-users] the radius of dry core
Via the methylene - COM RDF. Catch ya, Dr. Dallas Warren Medicinal Chemistry and Drug Action Monash Institute of Pharmaceutical Sciences, Monash University 381 Royal Parade, Parkville VIC 3010 dallas.war...@monash.edu +61 3 9903 9304 - When the only tool you own is a hammer, every problem begins to resemble a nail. From: gmx-users-boun...@gromacs.org [mailto:gmx-users-boun...@gromacs.org] On Behalf Of dina dusti Sent: Sunday, 6 May 2012 3:42 PM To: gmx-users@gromacs.org Subject: [gmx-users] the radius of dry core Dear GROMACS Specialists, I am working about micelles and have a question about the radius of dry core. May I ask you to answer me, Please? In one paper, I saw that the radius of dry core equals where the density profiles of water and the surfactant hydrocarbon tails cross and a fraction of about 0.78 methylenes are found to be within this distance to COM. I don't know how I obtain the fraction of methylenes in this distance to COM! Please help me. Thank you very much in advance. Best Regards Dina -- gmx-users mailing listgmx-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
[gmx-users] the radius of dry core
Dear Dr. Warren, Thank you very much from your help, but I want to calculate the fraction of methylenes in this distance to COM. How do I obtain this fraction in this distance by RDF, Please? Thank you again. Best Regards Dina -- gmx-users mailing listgmx-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
RE: [gmx-users] the radius of dry core
RDF = probability function Methylene density (number in the box (Nt) divided by the box volume), multiplied by probability (RDF) and shell volume (r+dr) calculates number of methylenes (Nm) within a given shell. Fraction = Nm/Nt Catch ya, Dr. Dallas Warren Medicinal Chemistry and Drug Action Monash Institute of Pharmaceutical Sciences, Monash University 381 Royal Parade, Parkville VIC 3010 dallas.war...@monash.edu +61 3 9903 9304 - When the only tool you own is a hammer, every problem begins to resemble a nail. From: gmx-users-boun...@gromacs.org [mailto:gmx-users-boun...@gromacs.org] On Behalf Of dina dusti Sent: Monday, 7 May 2012 2:05 PM To: gmx-users@gromacs.org Subject: [gmx-users] the radius of dry core Dear Dr. Warren, Thank you very much from your help, but I want to calculate the fraction of methylenes in this distance to COM. How do I obtain this fraction in this distance by RDF, Please? Thank you again. Best Regards Dina -- gmx-users mailing listgmx-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
[gmx-users] the radius of dry core
Dear GROMACS Specialists, I am working about micelles and have a question about the radius of dry core. May I ask you to answer me, Please? In one paper, I saw that the radius of dry core equals where the density profiles of water and the surfactant hydrocarbon tails cross and a fraction of about 0.78 methylenes are found to be within this distance to COM. I don't know how I obtain the fraction of methylenes in this distance to COM! Please help me. Thank you very much in advance. Best Regards Dina -- gmx-users mailing listgmx-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
