Hi, Could anybody tell me how to modify an ITP file to ignore certain atoms (as if they were not there) during simulations? I've changed charge and masses to 0.0 but I've got a lot of warnings during grompp preprocessing telling me that those atoms has zero mass and the program stops after certain numbers of warnings.
Thanks in advance, César.- _______________________________________________ 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
