Re: [gmx-users] fullerene topology

2007/12/5, Adam Fraser <[EMAIL PROTECTED]>: > > > I just need accurate partial charges to build the topology file with. Well, if you really meant what your message said, the answer should be exactly 0.0 a.u. on every atom. ___ gmx-users mailing list

RE: [gmx-users] fullerene topology

http://wiki.gromacs.org/index.php/Carbon_Nanotube And search the emailing list. There have been a number of posts over the last year about CNT. Catch ya, Dr. Dallas Warren Lecturer Department of Pharmaceutical Biology and Pharmacology Victorian College of Pharmacy, Monash University 381 Royal

Re: [gmx-users] fullerene topology

s a hammer, every problem begins to resemble a > nail. > > > -- > *From:* [EMAIL PROTECTED] [mailto: > [EMAIL PROTECTED] *On Behalf Of *Adam Fraser > *Sent:* Thursday, 6 December 2007 5:17 AM > *To:* Discussion list for GROMACS users > *Subject:* [gmx-use

RE: [gmx-users] fullerene topology

list for GROMACS users Subject: [gmx-users] fullerene topology I'm trying to either build or find topology files for buckminster fullerene (C60). Does anyone know where I could find such files? If not, does anyone know of liter

[gmx-users] fullerene topology

I'm trying to either build or find topology files for buckminster fullerene (C60). Does anyone know where I could find such files? If not, does anyone know of literature that would help me build C60? I already have a pdb of the structure... I just need accurate partial charges to build the topol