Dear all, I would like to know the actual cut-off angle used by gromacs package to calculate Hydrogen bond.
since in User manual of version 3.2 and earlier, it was written á equal to or lesser than áHB = 60 degree While in User manual of version 3.3, it is mentioned as á equal to or lesser than áHB = 30 degree so,in actual whether program uses 30 degree or 60 degree in all versions of GROMACS packages. I hope and believe that it (GROMACS) uses 30 degree cut-off criteria for angle (standard and typical value). Thanks in Advance, With Regards, Anil _______________________________________________ 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
