Yes okey. I understood. But I have another question:
Since I only want to minimize the phosphates which I added to the protein I want to use the freeze option to make sure that the other residues will not change. But how can I say gromacs that it shell make an exception and do not freeze the phosphate of the residues where I added the phosphate? Thank you, Eva > Only the -ignh flag is wrong, as Justin said. > > Keep the rest of the command line. > -- > Marcelo Depólo > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/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/Support/Mailing_Lists > -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/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/Support/Mailing_Lists
