Dear all,
I am doing the simulation of a protein with a small molecular in its active site.
But unfortunately, pdb2gmx cannot generate the gro and top file for the small molecualr?
I am using the oplsaa force field, who can tell me how to generate the gro and top files?
Thanks a lot
Jian
_______________________________________________ gmx-users mailing list gmx-users@gromacs.org 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
