Dear gmxions, I want to include one crystal water within protein itp, to further restrict it by harmonic bond with metal ion at the active site. In other words, one of the water molecules to be treated just likes another protein residue by pdb2gmx. How to do that?
My earlier posting on the same topic, but not received any replies, are http://www.gromacs.org/pipermail/gmx-users/2006-November/024680.html http://www.gromacs.org/pipermail/gmx-users/2006-November/024682.html http://www.gromacs.org/pipermail/gmx-users/2006-November/024696.html With thanks! B.Nataraj -- raja [EMAIL PROTECTED] -- http://www.fastmail.fm - The professional email service _______________________________________________ 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
