2009/6/5 Dmitri Dubov <ddu...@ngs.ru> > Hi, all > > > Using gromacs 3.3 I try to work with tip5 water, but I fail to convert > water molecules of gro-file to tip5 kind. Conversion to tip4p from spc is > easy with pdb2gmx > > > pdb2gmx -f my_spc.gro -water tip4p -o my_tip4.gro -p my_tip4.top > Does it really converts like that? I mean will it adjust the bonds and add a dummy atom just like that?
> , but when I apply similar command for tip5p, the output gro-file > contains only four-point water molecules. > > > Could anyone help me? > > -- > > Regards, > > Dmitri mailto:ddu...@ngs.ru <ddu...@ngs.ru> > > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > http://lists.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 gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > Manik Mayur Graduate student Microfluidics Lab Dept. of Mechanical Engg. IIT Kharagpur INDIA
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