> Hi, > This is first time that I am sending mail so I do not know the where I > have to send for proper answer of my question. To make .itp file of a sugar > molecule, what should be the gromacs force field (96/opls)? > regards > Anirban
It's not critical what force field to use for making the own .itp of any molecule. You may specify all parameters in .itp starting from the [atomtypes]. It's even better for a novice because in that way you see all used parameters at the same place. -- Vitaly V. Chaban School of Chemistry National University of Kharkiv Svoboda sq.,4, Kharkiv 61077, Ukraine email: [EMAIL PROTECTED] skype: vvchaban _______________________________________________ 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
