HI The command #include "ffXXX.itp" is putting in the .top file.
How does this command automatically assign the force field parameters which I did not assign in my .top file? Is it based on the atom types which I assign in my .top file? Then, all the force field parameters from "include ffXXX.itp" will give the both bonded and non-bonded parameters according the atom types, right? I mean...... once I determine the atom type.......such as NL and CH3...... there is a bond between NL and CH3..... But i did not assign the bond parameters in my .top file while I add the command "#include "ffXXX.itp" in my .top file. Will this command #include "ffXXX.itp" automatically assign a bond parameter for it? Other than this, there are so many non-bonded force field parameters. Once, I determine the atom types such as O and CR1. But, I did not assign any non-bonded parameters for them in my .top file. Will this command #include "ffXXX.itp" assign all the non-bonded force field parameters for me based on the atom types automatically? Thank you Lin _______________________________________________ gmx-users mailing list gmx-users@gromacs.org 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
