Re: [gmx-users] cgnr charge classifying

carbon nanotube with best regards AjlooDavid van der Spoel <[EMAIL PROTECTED]> wrote: 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.> Than

[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 _

[gmx-users] bad contacts and/or reduc

Dear gmx-users We want to study interaction of ligand to enzyme. We constructed the gro and top file from Prodrg and add it to the end of enzyme gro and change the number of atoms. Some of calculation carried out until mdrun of pr.mdp, but in this step we encontered to following error. what is the