Re: [gmx-users] Persistence length of whole DNA molecule

2013-07-23 Thread mohan maruthi
Thank you sir for a reply , I missed those atoms , I will try to replace it and then do it. The out put file contains not length but bonds, It says average persistence length is 4.3 bonds. I do not know how to calculate helical axis, I will try today using 3DNA and let you know. Thank you very

Re: [gmx-users] Persistence length of whole DNA molecule

2013-07-23 Thread rajendra kumar
Hi, I have not used g_polystat, and I cannot say about usage of this tool. I observed that you missed two oxygen atoms (O3' and O5') in the backbone atom index. There are several methods for the calculation of persistence length of a polymer, and you may look into literature for theories. For exa

[gmx-users] Persistence length of whole DNA molecule

2013-07-23 Thread Mohan maruthi sena
Hi all, I want to calculate the persistence length of whole DNA molecule. I know that we can calculate it by using option g_polystat -f .trr -p p.xvg , but I am not able to figure out what set of of atoms I have to select while making the index, so that I could get persistence length o