Re: [gmx-users] cgnr charge classifying

davood ajloo wrote: I want to construct the trp file for a nanotube, I used prodrg but it could not calculate for non flat sp2 carbon(nanotube) . I used X2top to creating the top file from pdb (from Hyperchm), It only gave me the connetction, no bond and angles and others parameters. I got the

Re: [gmx-users] cgnr charge classifying

I want to construct the trp file for a nanotube, I used prodrg but it could not calculate for non flat sp2 carbon(nanotube) .  I used X2top to creating the top file from pdb (from Hyperchm), It only gave me the connetction, no bond and angles and others parameters. I got them from literature and pu

Re: [gmx-users] cgnr charge classifying

davood ajloo wrote: Dear gmx-users I want to classifying the charge on the basis of cgnr charge type. How I do it? please explain better what you want to do. Thanks a lot of Ajloo __ Do You Yahoo!? Tired of spam? Yahoo! Mail has the best spam p

[gmx-users] cgnr charge classifying

Dear gmx-users I want to classifying the charge on the basis of cgnr charge type. How I do it? Thanks a lot of Ajloo __Do You Yahoo!?Tired of spam? Yahoo! Mail has the best spam protection around http://mail.yahoo.com _