> Respected members, > > I am trying to freeze a group of atoms during a particular > simulation . It happens that the some of the atoms in the group have > negative co-ordinates. After the simulation is completed the resultant > .gro > file reveals that all the atoms in the freeze group with positive > co-ordinates remain unchanged but the atoms with negative co-ordinates > have > theit positions changed . This indicates that desired action is not > produced. Does this mean that GROMACS does not support this feature and I > should simple translate the co-ordinates ?
Are they the same, modulo your http://wiki.gromacs.org/index.php/Periodic_Boundary_Conditions? Mark _______________________________________________ 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
