Dear gromacs users, We have a similar problem as we need to covalently link Fe atoms from a iron-sulfur cluster with S atoms from cys residues. We have already good parameters for iron and for inorganic sulfur. However we don't know how to covalently bound Fe atoms to organic S atoms. Could anybody give us some help? Thank you in advance, Elias
Elias Ramos de Souza Grupo de Pesquisa em Biofísica Teórica e Computacional Departamento de Ciências Aplicadas Centro Federal de Educação Tecnológica da Bahia -----Mensagem original----- De: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] Em nome de [EMAIL PROTECTED] Enviada em: Wednesday, August 09, 2006 9:51 AM Para: [email protected] Assunto: [gmx-users] covalent linkage with protein Dear users I have a peg chain (I created the topology using PRODRG) and I run independent chain using Gromacs. I want to covalently link the (5000k) peg chain with cys residue. How can we accomplish this. prabhakaran PS for glycosylation I usually modify the residue and create a new residue type. earlier gromacs does not allow any covalent linkage between two systems _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users 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 _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users 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
