Dear colleagues I have made simulation of infinite nanotubes in solvent environment. However I can not use the usual tools of the GROMACS to analyze my simulation (as g_rdf, trajorder, etc) due to axial symmetry (cylindrical).
Problem that I need to solve are the calculation of rdf (taking as reference the axis of the nanotube, not the COM) and also the analysis of the number of molecules into the first solvation shell. Have anybody some suggestion of standalone program or GROMACS tools for help me? Thanks eef -- _______________________________________ Eudes Eterno Fileti Centro de Ciência Naturais e Humanas Universidade Federal do ABC Rua Catequese, 242 - 3º Andar 09090-400 Santo André - SP Brasil Tel: +55 11 4437-1600 ramal 408 skype: eefileti http://cromo.ufabc.edu.br/~fileti/
_______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
