Hi all, I have been trying to simulate peptide in water box with guanidium ion & thiocynate ion(SCN-).I tried to add these ion by genion command line by simply adding topology information of these ion in ions.itp of gromacs library directory but it is not working properly it only adds one atom by replacing water molecule it seems that genion is applicable only for monoatomic ion. If i have to do simulation with these polyatomic ions with perticular salt concentration how do i will perform it.
Kinshuk IIT-Bombay India _______________________________________________ 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
